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Benzene structure
Benzene structure

Benzene

Iupac Name:benzene
CAS No.: 71-43-2
Molecular Weight:78.11184
Modify Date.: 2022-11-29 11:42
Introduction: Benzene is a colorless, volatile, highly flammable liquid that is used extensively in the chemical industry and received wide interest in the early days of organic chemistry. View more+
1. Names and Identifiers
1.1 Name
Benzene
1.2 Synonyms

[6]Annulene 1,3,5-Cyclohexatriene Annulene Benzeen Benzen Benzol Benzole Benzolo Coal naphtha cyclohex-1,3,5-triene Cyclohexatriene EINECS 200-753-7 Fenzen MFCD00003009 NSC 67315 Phene Phenyl hydride Phenylhydride Pyrobenzol Pyrobenzole

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1.3 CAS No.
71-43-2
1.4 CID
241
1.5 EINECS(EC#)
200-753-7
1.6 Molecular Formula
C6H6 (isomer)
1.7 Inchi
InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H
1.8 InChIkey
UHOVQNZJYSORNB-UHFFFAOYSA-N
1.9 Canonical Smiles
C1=CC=CC=C1
1.10 Isomers Smiles
C1=CC=CC=C1
2. Properties
2.1 Density
0.8786
2.1 Melting point
5.5℃
2.1 Boiling point
80℃
2.1 Refractive index
1.5011
2.1 Flash Point
-11℃
2.2 Precise Quality
78.046951
2.2 PSA
0.00000
2.2 logP
1.68660
2.2 Solubility
Miscible with alcohol, chloroform, dichloromethane, diethyl ether, acetone and acetic acid.
2.3 Viscosity
0.604 mPa.s at 25 °C
2.4 VaporDensity
2.77 (vs air)
2.5 Appearance
clear colorless liquid with a petroleum-like odor
2.6 Atmospheric OH Rate Constant
1.23e-12 cm3/molecule*sec
2.7 Storage
work with benzeneshould be conducted in a fume hood to prevent exposure by inhalation, and splashgoggles and impermeable gloves should be worn at all times to prevent eye and skincontact. Benzene should be used only in areas free of ignition sources.
2.8 Autoignition Temperature
1097 °F (USCG, 1999)
2.9 Carcinogenicity
Benzene is known to be a human carcinogen based on sufficient evidence of carcinogenicity from studies in humans.
2.10 Chemical Properties
Benzene is a clear, volatile, colorless, highly flammable liquid with a pleasant, characteristic odor. It is an aromatic hydrocarbon that boils at 80.1 DC. Benzene is used as a solvent in many areas of industries, such as rubber and shoe manufacturing, and in the production of other important substances, such as styrene, phenol, and cyclohexane. It is essential in the manufacture of detergents, pesticides, solvents, and paint removers. It is present in fuels such as gasoline up to the level of 5%.
2.11 Color/Form
Clear, colorless liq
RHOMBIC PRISMS
Colorless to light-yellow liquid [Note: A solid below 42 degrees F].
2.12 Flammability and Explosibility
Benzene is a highly flammable liquid (NFPA rating = 3), and its vapors may travel aconsiderable distance to a source of ignition and "flash back." Vapor-air mixtures areexplosive above the flash point. Carbon dioxide and dry chemical extinguishersshould be used to fight benzene fires.
2.13 Heat of Combustion
-3267.6 kJ/mol (liquid)
2.14 Heat of Vaporization
33.83 kJ/mol at 25 °C
2.15 HenrysLawConstant
0.01 atm-m3/mole
2.16 Ionization Potential
9.24 eV
2.17 Odor
Paint-thinner-like odor detectable at 12 ppm
2.18 Odor Threshold
2.7ppm
2.19 pKa
43(at 25℃)
2.20 Water Solubility
0.18 g/100 mL
2.21 Spectral Properties
MAX ABSORPTION (ALCOHOL): 243 NM (LOG E= 2.2), 249 NM (LOG E= 2.3), 256 NM (LOG E= 2.4), 261 NM (LOG E= 2.2); SADTLER REF NUMBER: 6402 (IR, PRISM), 1765 (UV)
Index of Refraction: 1.50108 @ 20 deg C/D
UV: 198 (Sadtler Research Laboratories Spectral Collection)
MASS: 102 (Atlas of Mass Spectral Data, John Wiley & Sons, New York)
IR: 136 (Sadtler Research Laboratories IR Grating Collection)
NMR: 3429 (Sadtler Research Laboratories Spectral Collection)
Intense mass spectral peaks: 78 m/z
2.22 Stability
Stable. Substances to be avoided include strong oxidizing agents, sulfuric acid, nitric acid, halogens. Highly flammable.
2.23 StorageTemp
0-6°C
2.24 Surface Tension
28.22 mN/m at 25 °C
3. Use and Manufacturing
3.1 Chemical Reactivity
Reactivity with Water No reaction; Reactivity with Common Materials: No reactions; Stability During Transport: Stable; Neutralizing Agents for Acids and Caustics: Not pertinent; Polymerization: Not pertinent; Inhibitor of Polymerization: Not pertinent.
3.2 Definition
ChEBI: A six-carbon aromatic annulene in which each carbon atom donates one of its two 2p electrons into a delocalised pi system. A toxic, flammable liquid byproduct of coal distillation, it is used as an industrial solvent. Benzene is a carcinogenthat also damages bone marrow and the central nervous system.
3.3 Environmental Fate
Benzene is released to air primarily by vaporization and combustion emissions associated with its use in gasoline. Other sources are vapors from its production and use in manufacturing other chemicals. In addition, benzene may be in industrial effluents discharged into water and accidental releases from gas and oil production, refining and distribution industries. Benzene released to soil will either evaporate very quickly or leach to groundwater. It can be biodegraded by soil and groundwater microbes. Benzene released to surface water should mostly evaporate within a few hours to a few days, depending on quantity, temperature, water turbulence, etc. Although benzene does not degrade by hydrolysis, it may be biodegraded by microbes.
3.4 Potential Exposure
Benzene is used as a constituent inmotor fuels; as a solvent for fats; inks, oils, paints, plastics,and rubber, in the extraction of oils from seeds andnuts; in photogravure printing. It is also used as a chemicalintermediate. By alkylation, chlorination, nitration, andsulfonation, chemicals, such as styrene, phenols, andmalefic anhydride are produced. Benzene is also used inthe manufacture of detergents, explosives, pharmaceuticals;in the manufacture of cyclohexane and ethylbenzene;and dye-stuffs. Increased concern for benzene as a significantenvironmental pollutant arises from public exposureto the presence of benzene in gasoline and the increasedcontent in gasoline due to requirements for unleaded fuelsfor automobiles equipped with catalytic exhaustconverters.
3.5 Purification Methods
For most purposes, *benzene can be purified sufficiently by shaking with conc H2SO4 until free from thiophene, then with H2O, dilute NaOH and water, followed by drying (with P2O5, sodium, LiAlH4, CaH2, 4X Linde molecular sieve, or CaSO4, or by passage through a column of silica gel, and for a preliminary drying, CaCl2 is suitable), and distillation. A further purification step to remove thiophene, acetic acid and propionic acid, is crystallisation by partial freezing. The usual contaminants in dry thiophene-free *benzene are non-benzenoid hydrocarbons such as cyclohexane, methylcyclohexane, and heptanes, together with naphthenic hydrocarbons and traces of toluene. Carbonyl-containing impurities can be removed by percolation through a Celite column impregnated with 2,4-dinitrophenylhydrazine, phosphoric acid and H2O. (Prepared by dissolving 0.5g DNPH in 6mL of 85% H3PO4 by grinding together, then adding and mixing 4mL of distilled H2O and 10g Celite.) [Schwartz & Parker Anal Chem 33 1396 1961.] *Benzene has been freed from thiophene by refluxing with 10% (w/v) of Raney nickel for 15minutes, after which the nickel is removed by filtration or centrifugation. Dry *benzene is obtained by doubly distilling high purity *benzene from a solution containing the blue ketyl formed by the reaction of sodium-potassium alloy with a small amount of benzophenone. Thiophene has been removed from *benzene (absence of bluish-green coloration when 3mL of *benzene is shaken with a solution of 10mg of isatin in 10mL of conc H2SO4) by refluxing the *benzene (1.25L) for several hours with 40g HgO (freshly precipitated) dissolved in 40mL glacial acetic acid and 300mL of water. The precipitate is filtered off, the aqueous phase is removed and the *benzene is washed twice with H2O, dried and distilled. Alternatively, *benzene dried with CaCl2 has been shaken vigorously for 0.5hour with anhydrous AlCl3 (12g/L) at 25-35o, then decanted, washed with 10% NaOH, and water, dried and distilled. The process is repeated, giving thiophene-free *benzene. [Holmes & Beeman Ind Eng Chem 26 172 1934.] After shaking successively for about an hour with conc H2SO4, distilled water (twice), 6M NaOH, and distilled water (twice), *benzene is distilled through a 3-ft glass column to remove most of the water. Absolute EtOH is added and the *benzene-alcohol azeotrope is distilled. (This low-boiling distillation leaves any non-azeotrope-forming impurities behind.) The middle fraction is shaken with distilled water to remove EtOH, and again redistilled. Final slow and very careful fractional distillation from sodium, then LiAlH4 under N2, removed traces of water and peroxides. [Peebles et al. J Am Chem Soc 82 2780 1960.] *Benzene liquid and vapour are very TOXIC and HIGHLY FLAMMABLE, and all operations should be carried out in an efficient fume cupboard and in the absence of naked flames in the vicinity. [Beilstein 5 H 175, 5 I 95, 5 II 119, 5 III 469.] Rapid purification: To dry benzene, alumina, CaH2 or 4A molecular sieves (3% w/v) may be used (dry for 6hours). Then benzene is distilled, discarding the first 5% of distillate, and stored over molecular sieves (3A, 4A) or Na wire.
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3.6 Usage
Benzene is also converted to cyclohexane, which is used to produce nylon and synthetic fibers.
3.7 Waste Disposal
Dissolve or mix the materialwith a combustible solvent and burn in a chemical incineratorequipped with an afterburner and scrubber. All federal,state, and local environmental regulations must beobserved. Dilution with alcohol or acetone to minimizesmoke is recommended. Bacterial degradation is alsopossible.
4. Safety and Handling
4.1 Symbol
GHS02, GHS07, GHS08
4.1 Hazard Codes
F
4.1 Signal Word
Danger
4.1 Risk Statements
R45;R46;R11;R36/38;R48/23/24/25;R65
4.1 Safety Statements
S53;S45
4.1 Exposure Standards and Regulations
Benzene is an indirect food additive for use only as a component of adhesives.
4.2 Packing Group
II
4.2 Octanol/Water Partition Coefficient
log Kow= 2.13
4.3 Other Preventative Measures
SRP: The scientific literature for the use of contact lenses in industry is conflicting. The benefit or detrimental effects of wearing contact lenses depend not only upon the substance, but also on factors including the form of the substance, characteristics and duration of the exposure, the uses of other eye protection equipment, and the hygiene of the lenses. However, there may be individual substances whose irritating or corrosive properties are such that the wearing of contact lenses would be harmful to the eye. In those specific cases, contact lenses should not be worn. In any event, the usual eye protection equipment should be worn even when contact lenses are in place.
SRP: Local exhaust ventilation should be applied wherever there is an incidence of point source emmissions or dispersion of regulated contaminants in the work area. Ventilation control of the contaminant as close to its point of generation is both the most economical and safest method to minimize personnel exposure to airborne contaminants.
VENTILATION CONTROL: WHEREVER POSSIBLE, PLANT SHOULD BE TOTALLY ENCLOSED ... ENCLOSURES SHOULD BE SUPPLEMENTED BY EXHAUST VENTILATION ... ATMOSPHERE ... SHOULD BE TESTED PERIODICALLY ...
PRECAUTIONS FOR "CARCINOGENS": Smoking, drinking, eating, storage of food or of food & beverage containers or utensils, & the application of cosmetics should be prohibited in any laboratory. All personnel should remove gloves, if worn, after completion of procedures in which carcinogens have been used. They should ... wash ... hands, preferably using dispensers of liq detergent, & rinse ... thoroughly. Consideration should be given to appropriate methods for cleaning the skin, depending on nature of the contaminant. No standard procedure can be recommended, but the use of organic solvents should be avoided. Safety pipettes should be used for all pipetting. /Chemical Carcinogens/
PRECAUTIONS FOR "CARCINOGENS": In animal laboratory, personnel should remove their outdoor clothes & wear protective suits (preferably disposable, one-piece & close-fitting at ankles & wrists), gloves, hair covering & overshoes. ... Clothing should be changed daily but ... discarded immediately if obvious contamination occurs ... /also,/ workers should shower immediately. In chemical laboratory, gloves & gowns should always be worn ... however, gloves should not be assumed to provide full protection. Carefully fitted masks or respirators may be necessary when working with particulates or gases, & disposable plastic aprons might provide addnl protection. If gowns are of distinctive color, this is a reminder that they should not be worn outside of lab. /Chemical Carcinogens/
PRECAUTIONS FOR "CARCINOGENS": ... Operations connected with synth & purification ... should be carried out under well-ventilated hood. Analytical procedures ... should be carried out with care & vapors evolved during ... procedures should be removed. ... Expert advice should be obtained before existing fume cupboards are used ... & when new fume cupboards are installed. It is desirable that there be means for decreasing the rate of air extraction, so that carcinogenic powders can be handled without ... powder being blown around the hood. Glove boxes should be kept under negative air pressure. Air changes should be adequate, so that concn of vapors of volatile carcinogens will not occur. /Chemical Carcinogens/
PRECAUTIONS FOR "CARCINOGENS": Vertical laminar-flow biological safety cabinets may be used for containment of in vitro procedures ... provided that the exhaust air flow is sufficient to provide an inward air flow at the face opening of the cabinet, & contaminated air plenums that are under positive pressure are leak-tight. Horizontal laminar-flow hoods or safety cabinets, where filtered air is blown across the working area towards the operator, should never be used ... Each cabinet or fume cupboard to be used ... should be tested before work is begun (eg, with fume bomb) & label fixed to it, giving date of test & avg air-flow measured. This test should be repeated periodically & after any structural changes. /Chemical Carcinogens/
PRECAUTIONS FOR "CARCINOGENS": Principles that apply to chem or biochem lab also apply to microbiological & cell-culture labs. ... Special consideration should be given to route of admin. ... Safest method of administering volatile carcinogen is by injection of a soln. Admin by topical application, gavage, or intratracheal instillation should be performed under hood. If chem will be exhaled, animals should be kept under hood during this period. Inhalation exposure requires special equipment. ... Unless specifically required, routes of admin other than in the diet should be used. Mixing of carcinogen in diet should be carried out in sealed mixers under fume hood, from which the exhaust is fitted with an efficient particulate filter. Techniques for cleaning mixer & hood should be devised before expt begun. When mixing diets, special protective clothing &, possibly, respirators may be required. /Chemical Carcinogens/
PRECAUTIONS FOR "CARCINOGENS": When ... admin in diet or applied to skin, animals should be kept in cages with solid bottoms & sides & fitted with a filter top. When volatile carcinogens are given, filter tops should not be used. Cages which have been used to house animals that received carcinogens should be decontaminated. Cage-cleaning facilities should be installed in area in which carcinogens are being used, to avoid moving of ... contaminated /cages/. It is difficult to ensure that cages are decontaminated, & monitoring methods are necessary. Situations may exist in which the use of disposable cages should be recommended, depending on type & amt of carcinogen & efficiency with which it can be removed. /Chemical Carcinogens/
PRECAUTIONS FOR "CARCINOGENS": To eliminate risk that ... contamination in lab could build up during conduct of expt, periodic checks should be carried out on lab atmospheres, surfaces, such as walls, floors & benches, & ... interior of fume hoods & airducts. As well as regular monitoring, check must be carried out after cleaning-up of spillage. Sensitive methods are required when testing lab atmospheres for chem such as nitrosamines. Methods ... should ... where possible, be simple & sensitive. ... /Chemical Carcinogens/
PRECAUTIONS FOR "CARCINOGENS": Rooms in which obvious contamination has occurred, such as spillage, should be decontaminated by lab personnel engaged in expt. Design of expt should ... avoid contamination of permanent equipment. ... Procedures should ensure that maintenance workers are not exposed to carcinogens. ... Particular care should be taken to avoid contamination of drains or ventilation ducts. In cleaning labs, procedures should be used which do not produce aerosols or dispersal of dust, ie, wet mop or vacuum cleaner equipped with high-efficiency particulate filter on exhaust, which are avail commercially, should be used. Sweeping, brushing & use of dry dusters or mops should be prohibited. Grossly contaminated cleaning materials should not be re-used. ... If gowns or towels are contaminated, they should not be sent to laundry, but ... decontaminated or burnt, to avoid any hazard to laundry personnel. /Chemical Carcinogens/
PRECAUTIONS FOR "CARCINOGENS": Doors leading into areas where carcinogens are used ... should be marked distinctively with appropriate labels. Access ... limited to persons involved in expt. ... A prominently displayed notice should give the name of the Scientific Investigator or other person who can advise in an emergency & who can inform others (such as firemen) on the handling of carcinogenic substances. /Chemical Carcinogens/
SRP: Contaminated protective clothing should be segregated in such a manner so that there is no direct personal contact by personnel who handle, dispose, or clean the clothing. Quality assurance to ascertain the completeness of the cleaning procedures should be implemented before the decontaminated protective clothing is returned for reuse by the workers.
The worker should immediately wash the skin when it becomes contaminated.
Work clothing that becomes wet should be immediately removed due to its flammability hazard.
Evacuation: If material leaking (not on fire) consider evacuation from downwind area based on amount of material spilled, location and weather conditions.
Personnel protection: Avoid breathing vapors. Keep upwind. ... Do not handle broken packages unless wearing appropriate personal protective equipment. Wash away any material which may have contacted the body with copious amounts of water or soap and water.
If material not on fire and not involved in fire: Keep sparks, flames, and other sources of ignition away. Keep material out of water sources and sewers. Build dikes to contain flow as necessary. Attempt to stop leak if without undue personnel hazard. Use water spray to knock-down vapors.
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4.4 Hazard Class
3
4.4 Hazard Declaration
H225-H304-H315-H319-H340-H350-H372-H412
4.4 Cleanup Methods
For spills on water, contain with booms or barriers, use surface acting agents to thicken spilled materials. Remove trapped materials with suction hoses.
Small spills of benzene can be taken up by sorption on carbon or synthetic sorbent resins. Flush area with water. For large quantities, if response is rapid, benzene can be skimmed off the surface. Straw may be used to mop slicks.
PRECAUTIONS FOR "CARCINOGENS": A high-efficiency particulate arrestor (HEPA) or charcoal filters can be used to minimize amt of carcinogen in exhausted air ventilated safety cabinets, lab hoods, glove boxes or animal rooms. ... Filter housing that is designed so that used filters can be transferred into plastic bag without contaminating maintenance staff is avail commercially. Filters should be placed in plastic bags immediately after removal. ... The plastic bag should be sealed immediately. ... The sealed bag should be labelled properly. ... Waste liquids ... should be placed or collected in proper containers for disposal. The lid should be secured & the bottles properly labelled. Once filled, bottles should be placed in plastic bag, so that outer surface ... is not contaminated. ... The plastic bag should also be sealed & labelled. ... Broken glassware ... should be decontaminated by solvent extraction, by chemical destruction, or in specially designed incinerators. /Chemical Carcinogens/
Eliminate all ignition sources. Stop or control the leak, if this can be done without undue risk. Use water spray to cool and disperse vapors, protect personnel, and dilute spills to form nonflammable mixtures. Absorb in noncombustible material for proper disposal. Control runoff and isolate discharged material for proper disposal.
Environmental considerations - Air spill: Apply water spray or mist to knock down vapors.
Environmental considerations - Water spill: Use natural barriers or oil spill control booms to limit spill travel. Use surface active agent (e.g., detergent, soaps, alcohols), if approved by EPA. Inject "universal" gelling agent to solidify encircled spill and increase effectiveness of booms. If dissolved, in region of 10 ppm or grater concentration, apply activated carbon at ten times the spilled amount. Remove trapped material with suction hoses. Use mechanical dredges or lifts to remove immobilized masses of pollutants and precipitates.
Environmental considerations - Land spill: Dig a pit, lagoon, holding area to contain liquid or solid material. /SRP: If time permits, pits, ponds, lagoons, soak holes, or holding areas should be sealed with an impermeable flexible membrane liner./ Dike surface flow using soil, sand bags, foamed polyurethane, or foamed concrete. Absorb bulk liquid with fly ash, cement powder, or commercial sorbents. Apply appropriate foam to diminish vapor and fire hazard.
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4.5 DisposalMethods
Generators of waste (equal to or greater than 100 kg/mo) containing this contaminant, EPA hazardous waste number F005, must conform with USEPA regulations in storage, transportation, treatment and disposal of waste.
Generators of waste (equal to or greater than 100 kg/mo) containing this contaminant, EPA hazardous waste number U019, must conform with USEPA regulations in storage, transportation, treatment and disposal of waste.
Generators of waste (equal to or greater than 100 kg/mo) containing this contaminant, EPA hazardous waste number D018, must conform with USEPA regulations in storage, transportation, treatment and disposal of waste.
Biodegradation, incineration: Benzene is biodegradable. Diluted aqueous soln, therefore, are drained into sewage treatment plants and decomposed there by anaerobic bacteria. Solvent mixtures and sludges of higher concn are burnt in special waste incinerators if a recovery process is uneconomical.
This flammable liquid burns with a very smoky flame. Dilution with alcohol or acetone is suggested to minimize smoke. Recommendable methods: Use as boiler fuel, incineration. Not recommendable: Landfill, discharge to sewer.
Incinerate or dispose of via a licensed solvent recycling or disposal company.
PRECAUTIONS FOR "CARCINOGENS": There is no universal method of disposal that has been proved satisfactory for all carcinogenic compounds & specific methods of chem destruction ... published have not been tested on all kinds of carcinogen-containing waste. ... Summary of avail methods & recommendations ... /given/ must be treated as guide only. /Chemical Carcinogens/
PRECAUTIONS FOR "CARCINOGENS": Total destruction ... by incineration may be only feasible method for disposal of contaminated laboratory waste from biological expt. However, not all incinerators are suitable for this purpose. The most efficient type ... is probably the gas-fired type, in which a first-stage combustion with a less than stoichiometric air:fuel ratio is followed by a second stage with excess air. Some ... are designed to accept ... aqueous & organic-solvent solutions, otherwise it is necessary ... to absorb soln onto suitable combustible material, such as sawdust. Alternatively, chem destruction may be used, esp when small quantities ... are to be destroyed in laboratory. /Chemical Carcinogens/
PRECAUTIONS FOR "CARCINOGENS": HEPA (high-efficiency particulate arrestor) filters ... can be disposed of by incineration. For spent charcoal filters, the adsorbed material can be stripped off at high temp & carcinogenic wastes generated by this treatment conducted to & burned in an incinerator. ... LIQUID WASTE: ... Disposal should be carried out by incineration at temp that ... ensure complete combustion. SOLID WASTE: Carcasses of lab animals, cage litter & misc solid wastes ... should be disposed of by incineration at temp high enough to ensure destruction of chem carcinogens or their metabolites. /Chemical Carcinogens/
PRECAUTIONS FOR "CARCINOGENS": ... Small quantities of ... some carcinogens can be destroyed using chem reactions ... but no general rules can be given. ... As a general technique ... treatment with sodium dichromate in strong sulfuric acid can be used. The time necessary for destruction ... is seldom known ... but 1-2 days is generally considered sufficient when freshly prepd reagent is used. ... Carcinogens that are easily oxidizable can be destroyed with milder oxidative agents, such as sat soln of potassium permanganate in acetone, which appears to be a suitable agent for destruction of hydrazines or of compounds containing isolated carbon-carbon double bonds. Concn or 50% aqueous sodium hypochlorite can also be used as an oxidizing agent. /Chemical Carcinogens/
PRECAUTIONS FOR "CARCINOGENS": Carcinogens that are alkylating, arylating or acylating agents per se can be destroyed by reaction with appropriate nucleophiles, such as water, hydroxyl ions, ammonia, thiols & thiosulfate. The reactivity of various alkylating agents varies greatly ... & is also influenced by sol of agent in the reaction medium. To facilitate the complete reaction, it is suggested that the agents be dissolved in ethanol or similar solvents. ... No method should be applied ... until it has been thoroughly tested for its effectiveness & safety on material to be inactivated. For example, in case of destruction of alkylating agents, it is possible to detect residual compounds by reaction with 4(4-nitrobenzyl)-pyridine. /Chemical Carcinogens/
Chemical Treatability of Benzene; Concentration Process: Biological Treatment; Chemical Classification: Aromatic; Scale of Study: Full Scale; Type of Wastewater Used: Industrial Wastewater; Results of Study: 90-100% reduction; (treated by aerated lagoon).
Chemical Treatability of Benzene; Concentration Process: Biological Treatment; Chemical Classification: Aromatic; Scale of Study: Full Scale; Type of Wastewater Used: Industrial Wastewater; Results of Study: 95-100% reduction; (completely mixed activated sludge process).
Chemical Treatability of Benzene; Concentration Process: Biological Treatment; Chemical Classification: Aromatic; Scale of Study: Respirometer Study; Type of Wastewater Used: Domestic Wastewater; Results of Study: 1.44-1.45 g of oxygen utilized/g of substrate added after 72 hr of oxidation.
Chemical Treatability of Benzene; Concentration Process: Biological Treatment; Chemical Classification: Aromatic; Scale of Study: Respirometer Study; Type of Wastewater Used: Domestic Wastewater; Results of Study: Oxygen uptake of 34 ppm oxygen/hr for 50 ppm chemical and 37 ppm oxygen/hr for 500 ppm chemical.
Chemical Treatability of Benzene; Concentration Process: Biological Treatment; Chemical Classification: Aromatic; Scale of Study: Full Scale; Type of Wastewater Used: Industrial Wastewater; Results of Study: 95-100% reduction; (Activated sludge process).
Chemical Treatability of Benzene; Concentration Process: Stripping; Chemical Classification: Aromatic; Scale of Study: Literature Review; Type of Wastewater Used: Unknown; Results of Study: Air and steam strippable.
Chemical Treatability of Benzene; Concentration Process: Stripping; Chemical Classification: Aromatic; Scale of Study: Continuous Flow, Pilot Scale; Type of Wastewater Used: Synthetic Wastewater; Results of Study: 95-99% reduction by steam stripping; (estimated cost of $3.35/1000 gal based on 0.03 MGD).
Chemical Treatability of Benzene; Concentration Process: Solvent Extraction; Chemical Classification: Aromatic; Scale of Study: Literature Review; Type of Wastewater Used: Unknown; Results of Study: Extractable with suitable solvent.
Chemical Treatability of Benzene; Concentration Process: Solvent Extraction; Chemical Classification: Aromatic; Scale of Study: Laboratory Scale, Continuous Flow; Type of Wastewater Used: Industrial Wastewater; Results of Study: 290 ppm @ 3 gal/hr, 97% reduction; (Extraction of wastewater from styrene manufacture using isobutylane (S/W= 0.107), RDC extractor used).
Chemical Treatability of Benzene; Concentration Process: Solvent Extraction; Chemical Classification: Aromatic; Scale of Study: Laboratory Scale, Continuous Flow; Type of Wastewater Used: Industrial Wastewater; Results of Study: 71 ppm @ 4.6 gal/hr, 96% reduction; (extraction of ethylene quench wastewater using isobutylene (S/W= 0.101) RDC extractor used).
Chemical Treatability of Benzene; Concentration Process: Solvent Extraction; Chemical Classification: Aromatic; Scale of Study: Laboratory Scale, Continuous Flow; Type of Wastewater Used: Industrial Waste; Results of Study: 81 ppm @ 4.6 gal/hr, 97% reduction; (extraction of ethylene quench wastewater using isobutane (S/W= 0.097) RDC extractor used).
Chemical Treatability of Benzene; Concentration Process: Activated Carbon; Chemical Classification: Aromatic; Scale of Study: Pilot Scale, Continuous Flow; Type of Wastewater Used: Hazardous Material Spill Results of Study: 90% removal (to 0.1 ppb effluent conc) achieved in 8.5 min contact time; (Spilled material treated using EPA's mobile treatment trailer).
Chemical Treatability of Benzene; Concentration Process: Activated Carbon; Chemical Classification: Aromatic; Scale of Study: Isotherm Test; Type of Wastewater Used: Pure Compound; Results of Study: 0.7 mg/g carbon capacity.
Chemical Treatability of Benzene; Concentration Process: Activated Carbon; Chemical Classification: Aromatic; Scale of Study: Isotherm Test; Type of Wastewater Used: Pure Compound; Results of Study: Isotherm kinetics were as follows: Carbon: K= 26.8, l/n= 1.305; Filtrasorb: K= 18.5 l/n= 1.158; carbon dose (mg/l) required to reduce 1 mg/l to 0.1 mg/l; Daro-678 Filtrasorb-705.
Chemical Treatability of Benzene; Concentration Process: Activated Carbon; Chemical Classification: Aromatic; Scale of Study: Isotherm Test; Type of Wastewater Used: Pure Compound; Results of Study: 95% reduction, 21 ppm final concn, 0.080 g/g carbon capacity; (Carbon dose with 5 g/l Westvaco Nuchar).
Chemical Treatability of Benzene; Concentration Process: Activated Carbon; Chemical Classification: Aromatic; Scale of Study: Literature Review; Type of Wastewater Used: Industrial Wastewater; Results of Study: Effluent concn of 30 ppm TOC achieved; 98% removal; (at contact time of 55 min 0.15 MGD flow; pretreatment including pH adjustment).
Chemical Treatability of Benzene; Concentration Process: Activated Carbon; Chemical Classification: Aromatic; Scale of Study: Isotherm Test; Type of Wastewater Used: Pure Compound; Results of Study: Effluent Character (ppm): 500, 95% removal; 250, 91% removal; 50, 60% removal; (24 hr contact time, carbon dose was 10 times chemical concn).
Chemical Treatability of Benzene; Concentration Process: Activated Carbon; Chemical Classification: Aromatic; Scale of Study: Literature Review; Type of Wastewater Used: Unknown; Results of Study: 95% removal at 0.5% carbon dose.
A good candidate for liquid injection incineration at a temperature range of 650 to 1,600 deg C and a residence time of 0.1 to 2 seconds. A good candidate for rotary kiln incineration at a temperature range of 820 to 1,600 deg C and residence times of seconds for liquids and gases, and hours for solids. A good candidate for fluidized bed incineration at a temperature range of 450 to 980 deg C and residence times of seconds for liquids and gases, and longer for solids.
Full-scale activated carbon column treatment: Influent concn: 28,000 ug/l; Effluent concn: 1)
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4.6 DOT Emergency Guidelines
/GUIDE 130: FLAMMABLE LIQUIDS (NON-POLAR/WATER-IMMISCIBLE/NOXIOUS)/ Fire or Explosion: HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along ground and collect in low or confined areas (sewers, basements, tanks). Vapor explosion hazard indoors, outdoors or in sewers. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids are lighter than water.
/GUIDE 130: FLAMMABLE LIQUIDS (NON-POLAR/WATER-IMMISCIBLE/NOXIOUS)/ Health: May cause toxic effects if inhaled or absorbed through skin. Inhalation or contact with material may irritate or burn skin and eyes. Fire will produce irritating, corrosive and/or toxic gases. Vapors may cause dizziness or suffocation. Runoff from fire control or dilution water may cause pollution.
/GUIDE 130: FLAMMABLE LIQUIDS (NON-POLAR/WATER-IMMISCIBLE/NOXIOUS)/ Public Safety: CALL Emergency Response Telephone Number ... . As an immediate precautionary measure, isolate spill or leak area for at least 50 meters (150 feet) in all directions. Keep unauthorized personnel away. Stay upwind. Keep out of low areas. Ventilate closed spaces before entering.
/GUIDE 130: FLAMMABLE LIQUIDS (NON-POLAR/WATER-IMMISCIBLE/NOXIOUS)/ Protective Clothing: Wear positive pressure self-contained breathing apparatus (SCBA). Structural firefighters' protective clothing will only provide limited protection.
/GUIDE 130: FLAMMABLE LIQUIDS (NON-POLAR/WATER-IMMISCIBLE/NOXIOUS)/ Evacuation: Large spill: Consider initial downwind evacuation for at least 300 meters (1000 feet). Fire: If tank, rail car or tank truck is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directions; also, consider initial evacuation for 800 meters (1/2 mile) in all directions.
/GUIDE 130: FLAMMABLE LIQUIDS (NON-POLAR/WATER-IMMISCIBLE/NOXIOUS)/ Fire: CAUTION: All these products have a very low flash point: Use of water spray when fighting fire may be inefficient. Small fires: Dry chemical, CO2, water spray or regular foam. Large fires: Water spray, fog or regular foam. Do not use straight streams. Move containers from fire area if you can do it without risk. Fire involving tanks or car/trailer loads: Fight fire from maximum distance or use unmanned hose holders or monitor nozzles. Cool containers with flooding quantities of water until well after fire is out. Withdraw immediately in case of rising sound from venting safety devices or discoloration of tank. ALWAYS stay away from tanks engulfed in fire. For massive fire, use unmanned hose holders or monitor nozzles; if this is impossible, withdraw from area and let fire burn.
/GUIDE 130: FLAMMABLE LIQUIDS (NON-POLAR/WATER-IMMISCIBLE/NOXIOUS)/ Spill or Leak: ELIMINATE all ignition sources (no smoking, flares, sparks or flames in immediate area). All equipment used when handling the product must be grounded. Do not touch or walk through spilled material. Stop leak if you can do it without risk. Prevent entry into waterways, sewers, basements or confined areas. A vapor suppressing foam may be used to reduce vapors. Absorb or cover with dry earth, sand or other non-combustible material and transfer to containers. Use clean non-sparking tools to collect absorbed material. Large spills: Dike far ahead of liquid spill for later disposal. Water spray may reduce vapor; but may not prevent ignition in closed spaces.
/GUIDE 130: FLAMMABLE LIQUIDS (NON-POLAR/WATER-IMMISCIBLE/NOXIOUS)/ First Aid: Move victim to fresh air. Call 911 or emergency medical service. Give artificial respiration if victim is not breathing. Administer oxygen if breathing is difficult. Remove and isolate contaminated clothing and shoes. In case of contact with substance, immediately flush skin or eyes with running water for at least 20 minutes. Wash skin with soap and water. Keep victim warm and quiet. In case of burns, immediately cool affected skin for as long as possible with cold water. Do not remove clothing if adhering to skin. Effects of exposure (inhalation, ingestion or skin contact) to substance may be delayed. Ensure that medical personnel are aware of the material(s) involved and take precautions to protect themselves.
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4.7 RIDADR
UN 1114 3/PG 2
4.7 Fire Fighting Procedures
Approach fire from upwind to avoid hazardous vapors. Use water spray, dry chemical, foam, or carbon dioxide. Use water spray to keep fire-exposed containers cool.
If material on fire or involved in fire: Do not extinguish fire unless flow can be stopped or safely confined. Use water in flooding quantities as fog. Solid streams of water may spread fire. Cool all affected containers with flooding quantities of water. Apply water from as far a distance as possible. Use foam, dry chemical, or carbon dioxide.
4.8 FirePotential
A dangerous fire hazard when exosed to heat or flame. ... Ignites on contact with sodium peroxide + water, dioxygenyl tetrafluoroborate, iodine heptafluoride, and dioxygen difluoride.
4.9 Safety Profile
Confirmed human carcinogen producing myeloid leukemia, Hodgkin's dsease, and lymphomas by inhalation. Experimental carcinogenic, neoplastigenic, and tumorigenic data. A human poison by inhalation. An experimental poison by skin contact, intraperitoneal, intravenous, and possibly other routes. Moderately toxic by ingestion and subcutaneous routes. A severe eye and moderate sktn irritant. Human systemic effects by inhalation and ingestion: blood changes, increased body temperature. Experimental teratogenic and reproductive effects. Human mutation data reported. A narcotic. In industry, inhalation is the primary route of chronic benzene poisoning. Poisoning by skin contact has been reported. Recent (1 987) research indicates that effects are seen at less than 1 ppm. Exposures needed to be reduced to 0.1 ppm before no toxic effects were observed. Elimination is chiefly through the lungs.
4.10 Caution Statement
P201-P210-P280-P308 + P313-P370 + P378-P403 + P235
4.10 Formulations/Preparations
Nitration grade > 99% purity.
"Benzol 90" contains 80-85% benzene, 13-15% toluene, 2-3% xylene.
Commercial grades of benzene: Refined benzene-535 (free of H2S and SO2, 1 ppm max thiophene, 0.15% max nonaromatics); Refined benzene-485, Nitration-grade (free of H2S and SO2); Industrial-grade benzene (free of H2S and SO2)
Grade: crude, straw color; motor; industrial pure (2C); nitration (1C); thiophene-free; 99 mole%; 99.94 mole%; nanograde.
4.11 Incompatibilities
Incompatible with oxidizers (chlorates,nitrates, peroxides, permanganates, perchlorates, chlorine,bromine, fluorine, etc.); contact may cause fires or explosions.Keep away from alkaline materials, strong bases,strong acids, oxoacids, epoxides, many fluorides and perchlorates,nitric acid.
4.12 WGK Germany
3
4.12 RTECS
CY1400000
4.12 Protective Equipment and Clothing
Protective clothing consisting of coveralls or other full body clothing should be worn and changed at least twice weekly.
Where there is a possibility of benzene contact to eyes or skin, safety showers, eye-wash fountains, and cleansing facilities shall be installed and maintained.
WHERE HIGH VAPOR CONCN ARE UNAVOIDABLE, FORCED AIR MASKS SHOULD BE USED. LIFELINE ATTENDED BY ... PERSON OUTSIDE CONTAMINATED ENCLOSURE IS MANDATORY. IF SKIN CONTACT IS UNAVOIDABLE, NEOPRENE GLOVES MUST BE WORN.
HYDROCARBON VAPOR CANISTER, SUPPLIED AIR OR A HOSE MASK; HYDROCARBON INSOLUBLE RUBBER OR PLASTIC GLOVES; CHEMICAL GOGGLES OR FACE SPLASH SHIELD; HYDROCARBON-INSOLUBLE APRON SUCH AS NEOPRENE.
PRECAUTIONS FOR "CARCINOGENS": ... Dispensers of liq detergent /should be available./ ... Safety pipettes should be used for all pipetting. ... In animal laboratory, personnel should ... wear protective suits (preferably disposable, one-piece & close-fitting at ankles & wrists), gloves, hair covering & overshoes. ... In chemical laboratory, gloves & gowns should always be worn ... however, gloves should not be assumed to provide full protection. Carefully fitted masks or respirators may be necessary when working with particulates or gases, & disposable plastic aprons might provide addnl protection. ... Gowns ... /should be/ of distinctive color, this is a reminder that they are not to be worn outside the laboratory. /Chemical Carcinogens/
Performance data: For butyl rubber, natural rubber, neoprene, neoprene, neoprene/natural rubber, nitrile rubber, polyethylene, chlorinated polyethylene, polyurethane, and polyvinyl chloride give breakthrough times less (usually significantly less) than one hour reported by (normally) two or more testers. Vendor Recommendations: C or D ratings from three or more (apparently independent) vendors.
Wear appropriate personal protective clothing to prevent skin contact.
Wear appropriate eye protection to prevent eye contact.
Eyewash fountains should be provided in areas where there is any possibility that workers could be exposed to the substance; this is irrespective of the recommendation involving the wearing of eye protection.
Facilities for quickly drenching the body should be provided within the immediate work area for emergency use where there is a possibility of exposure. [Note: It is intended that these facilities should provide a sufficient quantity or flow of water to quickly remove the substance from any body areas likely to be exposed. The actual determination of what constitutes an adequate quick drench facility depends on the specific circumstances. In certain instances, a deluge shower should be readily available, whereas in others, the availability of water from a sink or hose could be considered adequate.]
Recommendations for respirator selection. Condition: At concentrations above the NIOSH REL, or where there is no REL, at any detectable concentration. Respirator Class(es): Any self-contained breathing apparatus that has a full facepiece and is operated in a pressure-demand or other positive pressure mode. Any supplied-air respirator that has a full face piece and is operated in pressure-demand or other positive pressure mode in combination with an auxiliary self-contained breathing apparatus operated in pressure-demand or other positive pressure mode.
Recommendations for respirator selection. Condition: Escape from suddenly occurring respiratory hazards: Respirator Class(es): Any air-purifying, full-facepiece respirator (gas mask) with a chin-style, front- or back-mounted organic vapor canister. Any appropriate escape-type, self-contained breathing apparatus.
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4.13 Reactivities and Incompatibilities
Reacts violently with iodine pentafluoride.
Hydrogenation of benzene to cyclohexane was effected in a fixed bed reactor at 210-230 deg C, but a fall in conversion was apparent. Increasing the bed temp by 10 deg C & the hydrogen flow led to a large increase in reaction rate which the interbed cooling coils could not handle, & an exotherm to 280 deg C developed, with a hot spot around 600 deg C which bulged the reactor wall.
Benzene ... ignites in contact with /iodine heptafluoride/ gas ...
Dioxygenyl tetrafluoroborate is a very powerful oxidant, addition of a small particle to small samples of benzene ... at ambient temp ... /caused/ ignition.
... A 2% solution /dioxygen difluoride/ in hydrogen fluoride ignites solid benzene at -78 deg C.
Simultaneous contact of sodium peroxide with ... benzene ... causes ignition, (equivalent to contact with concn hydrogen peroxide).
Interaction /of uranium hexafluoride/ with benzene ... is very vigorous, with separation of carbon ...
Benzene ignites in contact with powdered chromic anhydride.
AN EXPLOSION OF BENZENE VAPORS & CHLORINE (INADVERTENTLY MIXED) WAS INITIATED BY LIGHT.
Reacts explosively with bromine pentafluoride, chlorine, chlorine trifluoride, diborane, nitric acid, nitryl perchlorate, oxygen (liquid), ozone, silver perchlorate.
Interaction of the pentafluoride & methoxide /from arsenic pentafluoride & potassium methoxide/ proceeded smoothly in trichlorotrifluoroethane at 30-40 deg C, whereas in benzene as solvent repeated explosions occurred.
The effects of the presence of moisture or benzene vapor in air on the spontaneously explosive reaction /of diborane/ have been studied.
Silver perchlorate forms solid complexes with aniline, pyridine, toluene, benzene & many other aromatic hydrocarbons. A sample of the benzene complex exploded violently on crushing in a mortar.
Interaction /of nitryl perchlorate/ with benzene gave a slight explosion & flash. ...
The solution of permanganic acid (or its explosive anhydride, dimanganese heptoxide) produced by interaction of permanganates & sulfuric acid, will explode on contact with benzene ... .
Large-scale addition of too-cold nitrating acid to benzene without agitation later caused an uncontrollably violent reaction to occur when stirring was started. The vapor-air mixture produced was ignited by interaction of benzene & nitric acid at 100-170 deg C & caused an extremely violent explosion.
Peroxodisulfuric acid ... /is/ a very powerful oxidant; uncontrolled contact with ... benzene ... may cause explosion.
Mixtures of /liquid oxygen &/ benzene are specifically described as explosive.
During ozonization of rubber dissolved in benzene, an explosion occurred. This seems unlikely to have been ... /due/ to formation of benzene triozonide (which separates as a gelatinous precipitate after prolonged ozonization), since the solution remained clear. A rubber ozonide may have been involved, but the benzene-oxygen system itself has high potential for hazard.
Mixtures /of peroxomonosulfuric acid/ with ... benzene ... explodes.
Certain metal perchlorates recrystallized from benzene or ethyl alcohol can explode spontaneously.
Strong oxidizers, many fluorides & perchlorates, nitric acid.
Vigorous or incandescent reaction with hydrogen + Raney nickel (above 210 deg C) ... and bromine trifluoride. Can react vigorously with oxidizing materials, such as ... CrO3, oxygen, NClO4, ozone, perchlorates, (AlCl3 + FClO4), (sulfuric acid + permanganates), K2O2, (AgClO4 + acetic acid) ...
Explodes on contact with diborane, bromine pentafluoride, permanganic acid, peroxomonosulfuric acid, and peroxodisulfuric acid. Forms sensitive, explosive mixtures with iodine pentafluoride, silver perchlorate, nitryl perchlorate, nitric acid, liquid oxygen, ozone, arsenic pentafluoride + potassium methoxide (explodes above 30 deg C). ... Moderate explosion hazard when exposed to heat or flame.
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4.14 Skin, Eye, and Respiratory Irritations
Benzene is irritant to skin.
A severe eye and moderate skin irritant.
Skin irritation has been noted at occupational exposures of greater than 60 ppm for up to three weeks.
4.15 Toxicity
LD50 orally in young adult rats: 3.8 ml/kg (Kimura)
5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Flammable liquids, Category 2

Skin irritation, Category 2

Eye irritation, Category 2

Aspiration hazard, Category 1

Germ cell mutagenicity, Category 1B

Carcinogenicity, Category 1A

Specific target organ toxicity \u2013 repeated exposure, Category 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H225 Highly flammable liquid and vapour

H315 Causes skin irritation

H319 Causes serious eye irritation

H304 May be fatal if swallowed and enters airways

H340 May cause genetic defects

H350 May cause cancer

Precautionary statement(s)
Prevention

P210 Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking.

P233 Keep container tightly closed.

P240 Ground and bond container and receiving equipment.

P241 Use explosion-proof [electrical/ventilating/lighting/...] equipment.

P242 Use non-sparking tools.

P243 Take action to prevent static discharges.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P264 Wash ... thoroughly after handling.

P201 Obtain special instructions before use.

P202 Do not handle until all safety precautions have been read and understood.

P260 Do not breathe dust/fume/gas/mist/vapours/spray.

P270 Do not eat, drink or smoke when using this product.

Response

P303+P361+P353 IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water [or shower].

P370+P378 In case of fire: Use ... to extinguish.

P302+P352 IF ON SKIN: Wash with plenty of water/...

P321 Specific treatment (see ... on this label).

P332+P313 If skin irritation occurs: Get medical advice/attention.

P362+P364 Take off contaminated clothing and wash it before reuse.

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P337+P313 If eye irritation persists: Get medical advice/attention.

P301+P310 IF SWALLOWED: Immediately call a POISON CENTER/doctor/\u2026

P331 Do NOT induce vomiting.

P308+P313 IF exposed or concerned: Get medical advice/ attention.

P314 Get medical advice/attention if you feel unwell.

Storage

P403+P235 Store in a well-ventilated place. Keep cool.

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

8. Computational chemical data
  • Molecular Weight: 78.11184g/mol
  • Molecular Formula: C6H6
  • Compound Is Canonicalized: True
  • XLogP3-AA: null
  • Exact Mass: 78.0469501914
  • Monoisotopic Mass: 78.0469501914
  • Complexity: 15.5
  • Rotatable Bond Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Topological Polar Surface Area: 0
  • Heavy Atom Count: 6
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count: 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Isotope Atom Count: 0
  • Covalently-Bonded Unit Count: 1
  • CACTVS Substructure Key Fingerprint: AAADcYBgAAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGAAAAAAACACAEAAwAIAAAACAACBCAAACAAAgAAAIiAAAAIgIICKAERCAIAAggAAIiAcAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
9. Question & Answer
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11. Realated Product Infomation
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