Ethylene thiourea 96-45-7 wiki

1. Names and Identifiers

: 1.1 Name; Ethylene thiourea; 1.2 Synonyms; 2-Imidazolidinethione 2-imidazolidine-thione 2-thioxo imidazolidine 2-Thioxoimidazolidine ACCEL-BF EINECS 202-506-9 Ethlenethiourea Ethylenethiourea ETU imidazolidine-2-thione Imidazoline-2-thione mercazini Mercozen MFCD00005276 N,N'-ethylenethiourea NA 22 NA-22-D robac22; View all

1.3 CAS No.: 96-45-7

1.4 CID: 2723650

1.5 EINECS(EC#): 202-506-9

1.6 Molecular Formula: C3H6N2S (isomer)

1.7 Inchi: InChI=1S/C3H6N2S/c6-3-4-1-2-5-3/h1-2H2,(H2,4,5,6)

1.8 InChIkey: PDQAZBWRQCGBEV-UHFFFAOYSA-N

1.9 Canonical Smiles: C1CNC(=S)N1

1.10 Isomers Smiles: C1CNC(=S)N1

2. Properties

2.1 Density: 1.27

2.1 Melting point: 203 deg C

2.1 Boiling point: 397 to 399° F (NTP, 1992)

2.1 Refractive index: 1.664

2.1 Flash Point: 486° F (NTP, 1992)

2.1 Precise Quality: 181.95100

2.1 PSA: 56.15000

2.1 logP: 1.07980

2.1 Solubility: 8g/l

2.2 Appearance: White Powder

2.3 Carcinogenicity: Ethylene thiourea is reasonably anticipated to be a human carcinogen based on sufficient evidence of carcinogenicity from studies in experimental animals.

2.4 Chemical Properties: Ethylene thiourea is a white to light green, needle-like crystalline solid with a faint amine odor. It is very soluble in hot water;slightly soluble in cold water, methanol, ethanol, ethylene glycol, pyridine, acetic acid, and naphtha; and insoluble in acetone, ether, chloroform, and benzene.When heated to decomposition, ethylene thiourea emits toxic fumes of nitrogen oxides (NOx) and sulfur oxides (SOx).

2.5 Color/Form: Needles, prisms from alcohol or amyl alcohol
White to pale-green crystals

2.6 Contact Allergens: Ethylene thiourea, a thiourea derivative, is a rubber chemical. It caused contact dermatitis mainly in rubber workers.

2.7 Odor: Faint, amine odor

2.8 pKa: 15.01±0.20(Predicted)

2.9 Water Solubility: H2O: 19 g/L (20 oC)

2.10 Spectral Properties: MAX ABSORPTION (ALCOHOL SOLVENT): 235 NM (LOG E= 4.18); SADTLER REF NUMBER: 5619 (IR, PRISM)
IR: 18092 (Sadtler Research Laboratories IR Grating Collection)
UV: 4571 (Sadtler Research Laboratories Spectral Collection)
1H NMR: 7058 (Sadtler Research Laboratories Spectral Collection)
MASS: 52471 (NIST/EPA/MSDC Mass Spectral Database, 1990 version)

2.11 Stability: Stable under normal temperatures and pressures.

2.12 StorageTemp: 0-6°C

3. Use and Manufacturing

3.1 General Description: White to pale green crystals or an off-white solid. Odorless when pure, but technical product may have an amine odor.

3.2 Methods of Manufacturing: Put 24 kg of ethylenediamine, 48 kg of industrial alcohol, and 60 kg of distilled water into the reactor in turn.?Under stirring, slowly add 32 kg CS2, and control the temperature at about 60 ℃ during the dropwise addition.?After the addition of CS2, the temperature was raised to 100 ℃ and refluxed for 1 h.?Then add 3.6 kg concentrated hydrochloric acid and reflux for 9 to 10 hours.?Cool crystallization.?Suction filter was washed and dried with acetone to obtain product.?The yield is about 80% to 85%.

3.3 Potential Exposure: Ethylene thiourea is used extensivelyas an accelerator in the curing of polychloroprene(Neoprene) and other elastomers; as a vulcanizing accelerator in rubber processing; in electroplating baths. In addition, exposure to ethylene thiourea also results from thevery widely used ethylene bisdithiocarbamate fungicides.Ethylene thiourea may be present as a contaminant in theethylene bisdithiocarbamate fungicides and can also beformed when food containing the fungicides is cooked

3.4 Purification Methods: Crystallise it from EtOH or amyl alcohol. [Beilstein 24 III/IV 22.]

3.5 Shipping: UN2811 Toxic solids, organic, n.o.s., HazardClass: 6.1; Labels: 6.1-Poisonous materials, TechnicalName Required

3.6 Usage: Accelerator in the curing of polychloroprene(neoprene) and polyacrylaterubber; intermediate in the manufacture ofantioxidants, insecticides, fungicides, dyes,pharmaceuticals, and synthetic resins

3.7 Waste Disposal: Incineration in a furnaceequipped with afterburner and scrubber. Ethylene thiourea Preparation Products And Raw materials Raw materials

4. Safety and Handling

4.1 Symbol: GHS07, GHS08

4.1 Hazard Codes: T

4.1 Signal Word: Danger

4.1 Risk Statements: R22;R61

4.1 Safety Statements: S45;S53

4.1 Packing Group: III

4.1 Octanol/Water Partition Coefficient: log Kow = -0.66

4.2 Fire Hazard: Ethylene thiourea is combustible.

4.3 Other Preventative Measures: SRP: The scientific literature for the use of contact lenses by industrial workers is inconsistent. The benefits 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: Contaminated protective clothing should be segregated in a manner that results in no direct personal contact by personnel who handle, dispose of, or clean the clothing. Quality assurance procedures to confirm the efficacy of the cleaning procedures should be implemented prior to the decontaminated protective clothing being returned for reuse by the workers. Contaminated clothing (including shoes/socks) should not be taken home at end of shift, but should remain at employee's place of work for cleaning.
The most effective control of ethylene thiourea, where feasible, is at the source of contamination by enclosure of the operation and/or local exhaust ventilation. ... The process or operation should be enclosed with a slight vacuum so that any leakage will result in the flow of air into the enclosure. The next most effective means of control would be a well designed local exhaust ventilation system that physically encloses the process as much as possible, with sufficient capture velocity to keep the contaminant from entering the work atmosphere. To ensure that ventilation equipment is working properly, effectiveness (eg, air velocity, static pressure, or air volume) should be checked at least every 3 mo. System effectiveness should be checked soon after any change in production, process, or control ... A 3rd alternative is the isolation of employees ... by use of automated equipment operated by personnel observing from a closed control booth or room.
Employees working in areas where ETU is manufactured, processed, handled, or stored should wash their hands before eating, drinking, smoking, or using rest room facilities during the work shift. No food or beverages should be stored, prepared, or consumed in areas where ETU is manufactured, processed, handled, or stored. Contaminated clothing should be removed before entering areas where food or beverages are consumed. Smoking should be prohibited in areas where ETU is manufactured, processed, handled, or stored in unsealed containers. Employees should shower or bathe and change clothing after the workday if any possible dermal exposure could have occurred. In many secondary uses of ETU, the dust hazard may be eliminated by the substitution of sheets or pellets of ETU (dispersed in a plastic material) for powdered ETU when it is used as a direct additive.
The worker should immediately wash the skin when it becomes contaminated.
The worker should wash daily at the end of each work shift, and prior to eating, drinking, smoking, etc..
Work clothing that becomes wet or significantly contaminated should be removed and replaced.
Workers whose clothing may have become contaminated should change into uncontaminated clothing before leaving the work premises.; View all

4.4 Hazard Class: 6.1(b)

4.4 Hazard Declaration: H302-H351-H360D-H372

4.4 Cleanup Methods: SRP: Wastewater from contaminant suppression, cleaning of protective clothing/equipment, or contaminated sites should be contained and evaluated for subject chemical or decomposition product concentrations. Concentrations shall be lower than applicable environmental discharge or disposal criteria. Alternatively, pretreatment and/or discharge to a permitted wastewater treatment facility is acceptable only after review by the governing authority and assurance that "pass through" violations will not occur. Due consideration shall be given to remediation worker exposure (inhalation, dermal and ingestion) as well as fate during treatment, transfer and disposal. If it is not practicable to manage the chemical in this fashion, it must be evaluated in accordance with EPA 40 CFR Part 261, specifically Subpart B, in order to determine the appropriate local, state and federal requirements for disposal.
Spill Handling: Evacuate persons not wearing protective equipment from area of spill or leak until cleanup is complete. Remove all ignition sources. Dampen spilled material with water to avoid dust. Collect powdered material in the most convenient and safe manner and deposit in sealed containers. Ventilate area of spill or leak after clean-up is complete. It may be necessary to contain and dispose of this chemical as a hazardous waste. If material or contaminated runoff enters waterways, notify downstream users of potentially contaminated waters.
Work areas, fixtures, equipment, etc, contaminated by ETU spills should be cleaned promptly. ETU powder on floors should be blotted with absorbing clay which, in turn, may be removed with a sweeping compound. An alkaline solution of hypochlorite will oxidize ETU into ethylene urea. Thus, a one to ten dilution of commercially available 5% hypochlorite solutions may be used to mop up areas contaminated with ETU.; View all

4.5 DisposalMethods: Generators of waste (equal to or greater than 100 kg/mo) containing this contaminant, EPA hazardous waste number U116, must conform with USEPA regulations in storage, transportation, treatment and disposal of waste.
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. A potential 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.
Incineration: Proper incineration in a furnace with afterburner and scrubber.

4.6 RIDADR: 25kgs

4.6 Fire Fighting Procedures: Use dry chemical, carbon dioxide, water spray, or foam extinguishers ... If material or contaminated runoff enters waterways, notify downstream users of potentially contaminated waters. Notify local health and fire officials and pollution control agencies. From a secure, explosion-proof location, use water spray to cool exposed containers. If cooling streams are ineffective (venting sound increases in volume and pitch, tank discolors or shows any signs of deforming), withdraw immediately to a secure position.

4.7 Caution Statement: P201-P281-P308 + P313

4.7 Formulations/Preparations: Commercial ethylene thiourea is available as a solid powder, as a dispersion in oil ... and "encapsulated" in a matrix of compatible elastomers.

4.8 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, acid anhydrides, andacrolein

4.9 WGK Germany: 2

4.9 RTECS: NI9625000

4.9 Protective Equipment and Clothing: The least preferred method /of personal protection/ is the use of personal protective equipment. This equipment, which may include respirators, goggles, gloves, & related items, should not be used as the only means to prevent or minimize exposure during routine operations. Exposure to ethylene thiourea should not be controlled with the use of respirators except: 1) during the time necessary to install or implement engineering or work practice controls; or 2) in work situations in which engineering and work practice controls are technically not feasible; or 3) for maintenance; or 4) for operations which require entry into tanks or closed vessels; or 5) in emergencies.
Respirator selection: At any detectable concentration: SCBAF:PD, PP (any MSHA/NIOSH approved self-contained breathing apparatus that has a full facepiece and is operated in a pressure-demand or other positive pressure mode); or SAF:PD, PP:ASCBA (any supplied-air respirator that has a full facepiece and is operated in a pressure-demand or other positive-pressure mode in combination with an auxiliary, self-contained breathing apparatus operated in a pressure-demand or other positive pressure mode). Escape: GMFOVHiE (any air-purifying, full-facepiece respirator or gas mask with a chin-style, front- or back-mounted organic vapor canister having a high-efficiency particulate filter); or SCBAE (any approved escape-type, self-contained breathing apparatus).
Wear appropriate personal protective clothing to prevent skin contact.
Wear appropriate eye protection to prevent eye contact.
Respirator Recommendations: At concentrations above the NIOSH REL, or where there is no REL, at any detectable concentration: Assigned Protection Factor (APF) Respirator Recommendation APF = 10,000 Any self-contained breathing apparatus that has a full facepiece and is operated in a pressure-demand or other positive-pressure mode. APF = 10,000 Any supplied-air respirator that has a full facepiece and is operated in a pressure-demand or other positive-pressure mode in combination with an auxiliary self-contained positive-pressure breathing apparatus.
Respirator Recommendations: Escape conditions: Assigned Protection Factor (APF) Respirator Recommendation APF = 50 Any air-purifying, full-facepiece respirator (gas mask) with a chin-style, front- or back-mounted organic vapor canister having an N100, R100, or P100 filter. /Any appropriate escape-type, self-contained breathing apparatus.; View all

4.10 Reactivities and Incompatibilities: Strong oxidizers, acids, acid anhydrides, acrolein.

4.11 Report

The 2-Imidazolidinethione is an organic compound with the formula?C₃H₆N₂S. The IUPAC name of this product is?imidazolidine-2-thione?. With the CAS registry number 96-45-7, it is also named as 1,3-Ethylene-2-thiourea ;? 4,5-Dihydro-2-mercaptoimidazole ;?Akrochem etu-22 ;?Ethylene thiourea ;?Mercaptoimidazoline ;?Sodium-22 neoprene accelerator ;?Tetrahydro-2H-imidazole-2-thione ;?Urea, 1,3-ethylene-2-thio- ;?Vulkacit NPV/C ;?NA-22-D .

The 2-Imidazolidinethione is white to pale green crystalline powder?which is slightly soluble in water.?It is?odorless when pure, but technical product may have an amine odor.?This product is combustible. It is incompatible with acids and reducing agents.?And it can?react with acids to liberate hydrogen sulfide. In additoin, it may be sensitive to prolonged exposure to light.????

This product is used as rubber accelerator of neoprene rubber, chlorosulfonated polyethylene rubber, chlorine alcohol rubber and?polyacrylate rubber.?It is also?used as brightener for copper plating and often used in conjunction with acid copper plating brightener M, SPS, etc.?2-Imidazolidinethione is harmful if swallowed.?It may cause harm to the unborn child.?In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)?Avoid exposure - obtain special instructions before use.?

The 2-Imidazolidinethione?can be obtained by the following method. Adding 24 kg?ethylenediamine , 48 kg industrial alcohol , 60 kg?distilled water to reactor?successively. Stirring, slowly adding 32 kg CS_2?and?controlling the?temperature at about 60 °C in the dropping process. Warming up to?100 °C after dropping, refluxing 1 h. Then adding 3.6 kg concentrated hydrochloric acid to reflux 9 ~ 10 h. Cooling crystallization. The product?is washed with acetone . The yield?is about 80%?- 85%.

The other characteristics of this product can be summarized as:?(1)ACD/LogP: -0.66 ; (2)# of Rule of 5 Violations: 0 ; (3)ACD/LogD (pH 5.5): -0.66 ; (4)ACD/LogD (pH 7.4): -0.66 ; (5)ACD/BCF (pH 5.5): 1 ; (6)ACD/BCF (pH 7.4): 1 ; (7)ACD/KOC (pH 5.5): 10.42 ; (8)ACD/KOC (pH 7.4): 10.42 ; (9)#H bond acceptors: 2 ; (10)#H bond donors: 2 ; (11)Index of Refraction: 1.625 ; (12)Molar Refractivity: 28.3 cm³ ; (13)Molar Volume: 79.9 cm³ ; (14)Polarizability: 11.21×10^-24 cm³ ; (15)Surface Tension: 61.1 dyne/cm ; (16)Enthalpy of Vaporization: 38.52 kJ/mol ; (17)Vapour Pressure: 4.26 mmHg at 25°C ; (18)Tautomer Count: 2 ; (19)Exact Mass: 102.025169 ; (20)MonoIsotopic Mass: 102.025169 ; (21)Topological Polar Surface Area: 56.2 ; (22)Heavy Atom Count: 6. People can use the following data to convert to the molecule structure.?SMILES: S=C1NCCN1;?InChI: InChI=1/C3H6N2S/c6-3-4-1-2-5-3/h1-2H2,(H2,4,5,6).

The following is the toxicity data which has been tested.

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	200mg/kg (200mg/kg)	?	National Technical Information Service. Vol. AD277-689,
mouse	LD50	oral	3gm/kg (3000mg/kg)	?	Teratology, The International Journal of Abnormal Development. Vol. 21, Pg. 71, 1980.
mouse	LD50	unreported	7800mg/kg (7800mg/kg)	?	Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 30(5), Pg. 59, 1986.
rat	LD50	oral	1832mg/kg (1832mg/kg)	?	Bulletin of Environmental Contamination and Toxicology. Vol. 7, Pg. 19, 1972.

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4.12 Skin, Eye, and Respiratory Irritations: An eye irritant.

4.13 Specification

The 2-Imidazolidinethione is an organic compound with the formula?C₃H₆N₂S. The IUPAC name of this product is?imidazolidine-2-thione?. With the CAS registry number 96-45-7, it is also named as 1,3-Ethylene-2-thiourea ;? 4,5-Dihydro-2-mercaptoimidazole ;?Akrochem etu-22 ;?Ethylene thiourea ;?Mercaptoimidazoline ;?Sodium-22 neoprene accelerator ;?Tetrahydro-2H-imidazole-2-thione ;?Urea, 1,3-ethylene-2-thio- ;?Vulkacit NPV/C ;?NA-22-D .

The 2-Imidazolidinethione is white to pale green crystalline powder?which is slightly soluble in water.?It is?odorless when pure, but technical product may have an amine odor.?This product is combustible. It is incompatible with acids and reducing agents.?And it can?react with acids to liberate hydrogen sulfide. In additoin, it may be sensitive to prolonged exposure to light.????

This product is used as rubber accelerator of neoprene rubber, chlorosulfonated polyethylene rubber, chlorine alcohol rubber and?polyacrylate rubber.?It is also?used as brightener for copper plating and often used in conjunction with acid copper plating brightener M, SPS, etc.?2-Imidazolidinethione is harmful if swallowed.?It may cause harm to the unborn child.?In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)?Avoid exposure - obtain special instructions before use.?

The 2-Imidazolidinethione?can be obtained by the following method. Adding 24 kg?ethylenediamine , 48 kg industrial alcohol , 60 kg?distilled water to reactor?successively. Stirring, slowly adding 32 kg CS_2?and?controlling the?temperature at about 60 °C in the dropping process. Warming up to?100 °C after dropping, refluxing 1 h. Then adding 3.6 kg concentrated hydrochloric acid to reflux 9 ~ 10 h. Cooling crystallization. The product?is washed with acetone . The yield?is about 80%?- 85%.

The other characteristics of this product can be summarized as:?(1)ACD/LogP: -0.66 ; (2)# of Rule of 5 Violations: 0 ; (3)ACD/LogD (pH 5.5): -0.66 ; (4)ACD/LogD (pH 7.4): -0.66 ; (5)ACD/BCF (pH 5.5): 1 ; (6)ACD/BCF (pH 7.4): 1 ; (7)ACD/KOC (pH 5.5): 10.42 ; (8)ACD/KOC (pH 7.4): 10.42 ; (9)#H bond acceptors: 2 ; (10)#H bond donors: 2 ; (11)Index of Refraction: 1.625 ; (12)Molar Refractivity: 28.3 cm³ ; (13)Molar Volume: 79.9 cm³ ; (14)Polarizability: 11.21×10^-24 cm³ ; (15)Surface Tension: 61.1 dyne/cm ; (16)Enthalpy of Vaporization: 38.52 kJ/mol ; (17)Vapour Pressure: 4.26 mmHg at 25°C ; (18)Tautomer Count: 2 ; (19)Exact Mass: 102.025169 ; (20)MonoIsotopic Mass: 102.025169 ; (21)Topological Polar Surface Area: 56.2 ; (22)Heavy Atom Count: 6. People can use the following data to convert to the molecule structure.?SMILES: S=C1NCCN1;?InChI: InChI=1/C3H6N2S/c6-3-4-1-2-5-3/h1-2H2,(H2,4,5,6).

The following is the toxicity data which has been tested.

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	200mg/kg (200mg/kg)	?	National Technical Information Service. Vol. AD277-689,
mouse	LD50	oral	3gm/kg (3000mg/kg)	?	Teratology, The International Journal of Abnormal Development. Vol. 21, Pg. 71, 1980.
mouse	LD50	unreported	7800mg/kg (7800mg/kg)	?	Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 30(5), Pg. 59, 1986.
rat	LD50	oral	1832mg/kg (1832mg/kg)	?	Bulletin of Environmental Contamination and Toxicology. Vol. 7, Pg. 19, 1972.

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4.14 Toxicity: LD50 orally in rats: 1832 mg/kg (Graham, Hansen)

5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Reproductive toxicity, Category 1B

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Danger
Hazard statement(s)	H302 Harmful if swallowed
Precautionary statement(s)
Prevention	P264 Wash ... thoroughly after handling. P270 Do not eat, drink or smoke when using this product. P201 Obtain special instructions before use. P202 Do not handle until all safety precautions have been read and understood. P280 Wear protective gloves/protective clothing/eye protection/face protection.
Response	P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell. P330 Rinse mouth. P308+P313 IF exposed or concerned: Get medical advice/ attention.
Storage	P405 Store locked up.
Disposal	P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

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6. NMR Spectrum

13C NMR : DMSO-d6

1H NMR : parameter in DMSO-d6

IR : KBr disc

IR : nujol mull

Mass

Mass spectrum (electron ionization)

UV/Visible spectrum

7. Synthesis Route

96-45-7Total: 31 Synthesis Route

107-15-3

96-45-7 213 Suppliers

Literatures:
Archiv der Pharmazie (Weinheim, Germany), , vol. 240, p. 677 Chem. Zentralbl., , vol. 101, # II p. 3750 Organic Syntheses, , vol. 26, p. 34
Yield: null

111-54-6

96-45-7 213 Suppliers

Literatures:
Zhurnal Obshchei Khimii, , vol. 9, p. 1782 Chem. Zentralbl., , vol. 111, # I p. 1973
Yield: null

107-15-3

96-45-7 213 Suppliers

109-89-7 168 Suppliers

Literatures:
Chemical Communications, , # 14 p. 1293 - 1294
Yield: null

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8. Precursor and Product

precursor:

69219-13-2

1608-91-9

534-18-9

74734-11-5

137-26-8

24775-54-0

32188-99-1

97-74-5

3278-35-1

33498-03-2

24521-43-5

149-30-4

74275-08-4

705-75-9

80220-60-6

75-15-0

74290-93-0

31090-77-4

111-54-6

View all

product :

504-75-6

936-49-2

80-73-9

54255-11-7

32188-94-6

5391-52-6

120-93-4

34283-85-7

7496-59-5

7320-60-7

484-92-4

5464-11-9

40424-21-3

3715-92-2

36065-41-5

28118-54-9

554-68-7

64205-92-1

20112-79-2

23224-13-7

View all

9. Other Information

9.0 Merck: 14,3803

9.1 Chemical Properties: A white powder.

9.2 Chemical Properties: Ethylene thiourea is a white to light green, needle-like crystalline solid with a faint amine odor

9.3 Uses: elastomer accelerator;chlorinated polyethylene (CPE) rubber vulcanizing accelerator agent

9.4 Uses: 2-Imidazolidinethione is a pesticide used in production of fruits and vegetables. It is also used as a new contrast agent for MRI studies based on proton chemical exchange dependent saturation transfe r. 2-Imidazolidinethione is also a corrosion inhibitor due to the adsorption of the mol. species.

9.5 Uses: Accelerator in synthetic rubber production.

9.6 General Description: White to pale green crystals or an off-white solid. Odorless when pure, but technical product may have an amine odor.

9.7 Air & Water Reactions: Slightly soluble in water.

9.8 Reactivity Profile: Ethlenethiourea may be sensitive to prolonged exposure to light. Incompatible with acids, diazo and azo compounds, halocarbons, isocyanates, aldehydes, alkali metals, nitrides, hydrides, and other strong reducing agents. Reactions with these materials generate heat and in many cases hydrogen gas. May react with acids to liberate hydrogen sulfide.

9.9 Hazard: Questionable carcinogen.

9.10 Fire Hazard: Ethlenethiourea is combustible.

9.11 Contact allergens: Ethylenethiourea, a thiourea derivative, is a rubber chemical. It caused contact dermatitis mainly in rubber workers.

9.12 Potential Exposure: Ethylene thiourea is used extensively as an accelerator in the curing of polychloroprene (Neoprene) and other elastomers; as a vulcanizing accelerator in rubber processing; in electroplating baths. In addition, exposure to ethylene thiourea also results from the very widely used ethylene bisdithiocarbamate fungicides. Ethylene thiourea may be present as a contaminant in the ethylene bisdithiocarbamate fungicides and can also be formed when food containing the fungicides is cooked

9.13 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. Medical observation is recommended for 24 to 48 hours after breathing overexposure, as pulmonary edema may be delayed. As first aid for pulmonary edema, a doctor or authorized paramedic may consider administering a drug or other inhalation therapy; View all

9.14 Shipping: UN2811 Toxic solids, organic, n.o.s., Hazard Class: 6.1; Labels: 6.1-Poisonous materials, Technical Name Required

9.15 Purification Methods: Crystallise it from EtOH or amyl alcohol. [Beilstein 24 III/IV 22.]

9.16 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, acid anhydrides, and acrolein

9.17 Waste Disposal: Incineration in a furnace equipped with afterburner and scrubber.

9.18 用途: Ethylene thiourea is an excellent accelerant of vulcanization of neoprene and polychloroprene rubbers.

9.19 Storage Conditions: Put 24 kg of ethylenediamine, 48 kg of industrial alcohol, and 60 kg of distilled water into the reactor in turn.?Under stirring, slowly add 32 kg CS2, and control the temperature at about 60 ℃ during the dropwise addition.?After the addition of CS2, the temperature was raised to 100 ℃ and refluxed for 1 h.?Then add 3.6 kg concentrated hydrochloric acid and reflux for 9 to 10 hours.?Cool crystallization.?Suction filter was washed and dried with acetone to obtain product.?The yield is about 80% to 85%.

9.20 Storage features: Separated from strong oxidants. Store in an area without drain or sewer access.

10. Computational chemical data

Molecular Weight: 102.155g/mol
Molecular Formula: C₃H₆N₂S
Compound Is Canonicalized: True
XLogP3-AA: null
Exact Mass: 102.02516937
Monoisotopic Mass: 102.02516937
Complexity: 63.2
Rotatable Bond Count: 0
Hydrogen Bond Donor Count: 2
Hydrogen Bond Acceptor Count: 1
Topological Polar Surface Area: 56.2
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: AAADcYBDAABAAAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAAAAAAAHAQQAAAAAADBAAQBAALAAAAEAAAAAAAAAAAAAAkAAIAIAACAQAAAAAAQAAAIEAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

11. Question & Answer

What are the uses and risks of Ethylene thiourea? Jan 16 2024
Introduction of Ethylene thiourea Ethylene thiourea (ETU) is an imidazolidine compound with the appearance of a white crystalline solid, produced by the action of ethylenediamine on carbon disulphide ..
What are the synthesis methods and applications of Ethylene thiourea? Jun 10 2023
Ethylene thiourea (EVS) is an important sulfur-containing organic compound with wide-ranging applications. This article will provide a detailed introduction to the synthesis methods of Ethylene thiour..
What are the applications and preparation methods of Ethylene Thiourea? Mar 21 2021
Background and Overview[1] Ethylene Thiourea is an imidazoline-type vulcanization accelerator. It is a white needle-like crystalline substance that is slightly soluble in cold water and easily soluble..
How to prepare and apply Ethylene thiourea? Oct 22 2020
Background and overview[1][2] Ethylene thiourea is also known as N, N′-ethylene thiourea, trade name accelerator NA-22, accelerator EU. It is a white powder with a bitter taste and hygroscopicit..

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Ethylene thiourea CAS 96-45-7 Organic Intermediate

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Ethylene thiourea