sodium,2,4-dichlorophenolate
- Iupac Name：sodium;2,4-dichlorophenolate
- CAS No.: 3757-76-4
- Molecular Weight：184.98300
- Modify Date.: 2022-11-04 03:42
1. Names and Identifiers
- 1.1 Name
- sodium,2,4-dichlorophenolate
- 1.2 Synonyms
2,4-Dichlorophenol sodium salt 2,4-DICHLOROPHENOLSODIUMSALT Phenol, 2,4-dichloro-, sodium deriv. Phenol, 2,4-dichloro-, sodium salt Phenol, 2,4-dichloro-, sodium salt (1:1) Sodium 2,4-dichlorophenate Sodium 2,4-dichlorophenolate Sodium 2,4-dichlorophenoxide Sodium, (2,4-dichlorophenoxy)-
- View all
- 1.3 CAS No.
- 3757-76-4
- 1.4 CID
- 23678872
- 1.5 EINECS(EC#)
- 223-163-1
- 1.6 Molecular Formula
- C6H3Cl2NaO (isomer)
- 1.7 Inchi
- InChI=1S/C6H4Cl2O.Na/c7-4-1-2-6(9)5(8)3-4;/h1-3,9H;/q;+1/p-1
- 1.8 InChIkey
- BYOIUZNBVLCMNV-UHFFFAOYSA-M
- 1.9 Canonical Smiles
- C1=CC(=C(C=C1Cl)Cl)[O-].[Na+]
- 1.10 Isomers Smiles
- C1=CC(=C(C=C1Cl)Cl)[O-].[Na+]
2. Properties
- 2.1 Melting point
- 45ºC
- 2.1 Boiling point
- 210ºC at 760 mmHg
- 2.1 Flash Point
- 113.9ºC
- 2.1 Precise Quality
- 183.94600
- 2.1 PSA
- 23.06000
- 2.1 logP
- 3.13720
- 2.1 Color/Form
- COLORLESS CRYSTALS OR NEEDLES
Hexagonal needles from benzene
White ... solid
Pale yellow solid
- 2.2 Water Solubility
- Soluble in carbon tetrachloride
Soluble in ethanol, benzene, chloroform and ethyl ether.
Soluble in aqueous alkali, oxygenated and chlorinated solvents.
In water, 4.50X10+3 mg/L at 20 deg C
- 2.3 Spectral Properties
- MAX ABSORPTION (0.1 N NaOH): 304 NM (LOG E= 3.50); SADTLER REFERENCE NUMBER: 1315 (IR, PRISM)
MASS: 68941 (NIST/EPA/MSDC Mass Spectral Database, 1990 version); 1439 (Atlas of Mass Spectral Data, John Wiley & Sons, New York)
IR: 1320 (Coblentz Society Spectral Collection)
UV: 9786 (Sadtler Research Laboratories Spectral Collection)
Raman: 1041 (Sadtler Research Laboratories Spectral Collection)
3. Safety and Handling
- 3.1 Octanol/Water Partition Coefficient
- log Kow = 3.06
- 3.2 Other Preventative Measures
- 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. Contaminated clothing should not be taken home at end of shift, but should remain at employee's place of work for cleaning.
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.
Keep material out of water sources and sewers; Build dikes to contain flow as necessary; Keep upwind; Avoid breathing vapors or dusts; Wash away any material which may have contacted the body with copious amounts of water or soap and water. /Trichlorophenol/
Immediately wash contaminated areas of skin with concentrated soap solution. Contaminated gloves, clothing, shoes should be removed without delay and disposed by incineration. - View all
- 3.3 Cleanup Methods
- Activated carbon is a good method for removing chlorophenols from water. Competitive adsorption occurs between chlorophenols & humic substances present in nearly all municipal water supplies. This competition decr the capacity of carbon for chlorophenols. /Chlorophenols/
Land Spill: Dig a pit, pond, lagoon, or holding area /SRP: If time permits, pits, ponds, lagoons, soak holes, or holding areas should be sealed with an impermeable flexible membrane liner/ to contain liquid or solid material. Cover solids with plastic sheet to prevent dissolving in rain or fire fighting water. /Trichlorophenol/
Water Spill: Use natural deep water pockets, excavated lagoons, or sand bag barriers to trap material at bottom. If dissolved, apply activated carbon at ten times the spilled amount in region of 10 ppm or greater concentration. Remove trapped material with suction hoses. Use mechanical dredges or lifts to remove immobilized masses of pollutants and precipitates. /Trichlorophenol/
- 3.4 DisposalMethods
- Generators of waste (equal to or greater than 100 kg/mo) containing this contaminant, EPA hazardous waste number U081, must conform with USEPA regulations in storage, transportation, treatment and disposal of waste.
SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational exposure or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air quality; potential migration in soil or water; effects on animal, aquatic, and plant life; and conformance with environmental and public health regulations.
A potential 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.
The following wastewater treatment technologies have been investigated for 2,4-dichlorophenol: biological treatment, solvent extraction, and resin adsorption.
Dissolve in a combustible solvent and incinerate in a furnace equipped with afterburner and scrubber. Recommendable method: Incineration. Not recommendable method: Discharge to sewer. Peer-review: Incinerate at high temp. PCDDs may be formed. (Peer-review conclusions of an IRPTC expert consultation (May 1985)) - View all
- 3.5 DOT Emergency Guidelines
- /GUIDE 153: SUBSTANCES - TOXIC AND/OR CORROSIVE (COMBUSTIBLE)/ Health: TOXIC; inhalation, ingestion, or skin contact with material may cause severe injury or death. Contact with molten substance may cause severe burns to skin and eyes. Avoid any skin contact. Effects of contact or inhalation may be delayed. Fire may produce irritating, corrosive and/or toxic gases. Runoff from fire control or dilution water may be corrosive and/or toxic and cause pollution. /Chlorophenols, liquid; Chlorophenols,solid/
/GUIDE 153: SUBSTANCES - TOXIC AND/OR CORROSIVE (COMBUSTIBLE)/ Fire or Explosion: Combustible material: may burn but does not ignite readily. When heated, vapors may form explosive mixtures with air: indoors, outdoors, and sewers explosion hazards. Those substances designated with a "P" may polymerize explosively when heated or involved in a fire. Contact with metals may evolve flammable hydrogen gas. Containers may explode when heated. Runoff may pollute waterways. Substance may be transported in a molten form. /Chlorophenols, liquid; Chlorophenols,solid/
/GUIDE 153: SUBSTANCES - TOXIC AND/OR CORROSIVE (COMBUSTIBLE)/ Public Safety: CALL Emergency Response Telephone Number ... As an immediate precautionary measure, isolate spill or leak area in all directions for at least 50 meters (150 feet) for liquids and at least 25 meters (75 feet) for solids. Keep unauthorized personnel away. Stay upwind. Keep out of low areas. Ventilate enclosed areas. /Chlorophenols, liquid; Chlorophenols,solid/
/GUIDE 153: SUBSTANCES - TOXIC AND/OR CORROSIVE (COMBUSTIBLE)/ Protective Clothing: Wear positive pressure self-contained breathing apparatus (SCBA). Wear chemical protective clothing that is specifically recommended by the manufacturer. It may provide little or no thermal protection. Structural firefighters' protective clothing provides limited protection in fire situations ONLY; it is not effective in spill situations where direct contact with the substance is possible. /Chlorophenols, liquid; Chlorophenols,solid/
/GUIDE 153: SUBSTANCES - TOXIC AND/OR CORROSIVE (COMBUSTIBLE)/ Evacuation: ... 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. /Chlorophenols, liquid; Chlorophenols,solid/
/GUIDE 153: SUBSTANCES - TOXIC AND/OR CORROSIVE (COMBUSTIBLE)/ Fire: Small fires: Dry chemical, CO2 or water spray. Large fires: Dry chemical, CO2, alcohol-resistant foam or water spray. Move containers from fire area if you can do it without risk. Dike fire control water for later disposal; do not scatter the material. Fire involving tanks or car/trailer loads: Fight fire from maximum distance or use unmanned hose holders or monitor nozzles. Do not get water inside containers. 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. /Chlorophenols, liquid; Chlorophenols,solid/
/GUIDE 153: SUBSTANCES - TOXIC AND/OR CORROSIVE (COMBUSTIBLE)/ Spill or Leak: ELIMINATE all ignition sources (no smoking, flares, sparks or flames in immediate area). Do not touch damaged containers or spilled material unless wearing appropriate protective clothing. Stop leak if you can do it without risk. Prevent entry into waterways, sewers, basements or confined areas. Absorb or cover with dry earth, sand or other non-combustible material and transfer to containers. DO NOT GET WATER INSIDE CONTAINERS. /Chlorophenols, liquid; Chlorophenols,solid/
/GUIDE 153: SUBSTANCES - TOXIC AND/OR CORROSIVE (COMBUSTIBLE)/ First Aid: Move victim to fresh air. Call 911 or emergency medical service. Give artificial respiration if victim is not breathing. Do not use mouth-to-mouth method if victim ingested or inhaled the substance; give artificial respiration with the aid of a pocket mask equipped with a one-way valve or other proper respiratory medical device. 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. For minor skin contact, avoid spreading material on unaffected skin. Keep victim warm and quiet. 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. /Chlorophenols, liquid; Chlorophenols,solid/ - View all
- 3.6 Fire Fighting Procedures
- Alcohol foam, foam, carbon dioxide, dry chemical.
Cool exposed containers with water.
Wear goggles, self-contained breathing apparatus, and rubber overclothing (including gown); /when fighting a fire involving 2,4-Dichlorophenol/
Extinguish fire using agent suitable for type of surrounding fire. Material itself does not burn or burns with difficulty. /Trichlorophenol/
- 3.7 FirePotential
- Combustible when exposed to heat or flame.
Behavior in fire: Solid melts and burns.
May accumulate static electrical charges, and may cause ignition of its vapors.
- 3.8 Protective Equipment and Clothing
- Wear boots, protective gloves, and goggles. /Trichlorophenol/
/Wear/ approved dust respirator for toxic dusts; Protective clothing to prevent contact with skin. /Trichlorophenol/
- 3.9 Reactivities and Incompatibilities
- ... Can react vigorously with oxidizing materials.
... On contact with acid or acid fumes, it emits highly toxic fumes of /hydrogen chloride/.
Quickly corrodes aluminum; slowly corrodes zinc, tin, brass, bronze, copper and its alloys.
- 3.10 Skin, Eye, and Respiratory Irritations
- Skin or eye contact can cause irritation and burns. Inhalation can cause resp irritation, coughing and wheezing.
Solid or dust will burn the skin and eyes.
4. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
no data available
2.2 GHS label elements, including precautionary statements
| Pictogram(s) | no data available |
| Signal word | no data available |
| Hazard statement(s) | no data available |
| Precautionary statement(s) | |
| Prevention | no data available |
| Response | no data available |
| Storage | no data available |
| Disposal | no data available |
2.3 Other hazards which do not result in classification
no data available
5. Synthesis Route
3757-76-4Total: 1 Synthesis Route
7. Computational chemical data
- Molecular Weight: 184.98300g/mol
- Molecular Formula: C6H3Cl2NaO
- Compound Is Canonicalized: True
- XLogP3-AA: null
- Exact Mass: 183.9458644
- Monoisotopic Mass: 183.9458644
- Complexity: 102
- Rotatable Bond Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Topological Polar Surface Area: 23.1
- Heavy Atom Count: 10
- 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: 2
- CACTVS Substructure Key Fingerprint: AAADcQBgICAGAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgIAAAAACAaAkCAwBoAAAACAACBCAAACAAAgJUAIiAAGC4gIJiKBExKAMAAkwBEIiAeAQAAAACAAAACACAAAQAAAAQAQAAAAAAAAAA==
9. Realated Product Infomation
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