1,1,2-Trichloroethane
- CAS No.
- 79-00-5
- Chemical Name:
- 1,1,2-Trichloroethane
- Synonyms
- 1,1,2-tce;beta-T;1,1,2-Trichlorethan;1,2,2-Trichloroethane;Ethane,1,1,2-trichloro-;1,1,2-Trichloroethane,98%;R-140;freon140;NCI-C04579;CHCl2CH2Cl
- CBNumber:
- CB6413466
- Molecular Formula:
- C2H3Cl3
- Molecular Weight:
- 133.4
- MOL File:
- 79-00-5.mol
- MSDS File:
- SDS
- Modify Date:
- 2024/1/8 9:44:47
| Melting point | -37 °C |
|---|---|
| Boiling point | 110-115 °C (lit.) |
| Density | 1.435 g/mL at 25 °C (lit.) |
| vapor pressure | 30.3 at 25 °C (quoted, Mackay et al., 1982) |
| refractive index |
n |
| Flash point | 11 °C |
| storage temp. | 2-8°C |
| solubility | Soluble in ethanol and chloroform (U.S. EPA, 1985) |
| form | Liquid |
| color | Clear colorless |
| Water Solubility | 4 g/L (20 ºC) |
| Merck | 14,9637 |
| BRN | 1731726 |
| Henry's Law Constant | 8.70 at 30 °C (headspace-GC, Sanz et al., 1997) |
| Exposure limits | Potential occupational carcinogen. NIOSH REL: TWA 10 ppm (45 mg/m3), IDLH 100 ppm; OSHA PEL: TWA 10 ppm (adopted). |
| Dielectric constant | 7.2800000000000002 |
| Stability | Stable. |
| LogP | 2.05-2.49 at 20℃ and pH7 |
| CAS DataBase Reference | 79-00-5(CAS DataBase Reference) |
| IARC | 3 (Vol. 52, 71) 1999 |
| NIST Chemistry Reference | Ethane, 1,1,2-trichloro-(79-00-5) |
| EPA Substance Registry System | 1,1,2-Trichloroethane (79-00-5) |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |   GHS06,GHS08 |
|||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Danger | |||||||||
| Hazard statements | H302+H312-H331-H351-H412 | |||||||||
| Precautionary statements | P201-P273-P280-P302+P352+P312-P304+P340+P311-P308+P313 | |||||||||
| Hazard Codes | Xn,Xi,T,F | |||||||||
| Risk Statements | 20/21/22-40-66-39/23/24/25-23/24/25-11-23-21/22 | |||||||||
| Safety Statements | 9-36/37-46-45-16-7 | |||||||||
| RIDADR | 3082 | |||||||||
| OEB | A | |||||||||
| OEL | TWA: 10 ppm (45 mg/m3) [skin] (Chloroethanes) | |||||||||
| WGK Germany | 3 | |||||||||
| RTECS | KJ3150000 | |||||||||
| Hazard Note | Irritant | |||||||||
| HazardClass | 6.1(b) | |||||||||
| PackingGroup | III | |||||||||
| HS Code | 29031990 | |||||||||
| Toxicity | Acute oral LD50 for mice 378 mg/kg, rats 580 mg/kg (quoted, RTECS, 1985). | |||||||||
| IDLA | 100 ppm | |||||||||
| NFPA 704 |
|
1,1,2-Trichloroethane price More Price(3)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich(India) | 40013 | 1,1,2-Trichloroethane solution certified reference material, 5000?μg/mL in methanol | 79-00-5 | 1ML | ₹5572.7 | 2022-06-14 | Buy |
| TCI Chemicals (India) | T0381 | 1,1,2-Trichloroethane min. 98.0 % | 79-00-5 | 25G | ₹2400 | 2022-05-26 | Buy |
| TCI Chemicals (India) | T0381 | 1,1,2-Trichloroethane min. 98.0 % | 79-00-5 | 500G | ₹5200 | 2022-05-26 | Buy |
1,1,2-Trichloroethane Chemical Properties,Uses,Production
Chemical Properties
1,1,2-Trichloroethane is a colorless, nonflammable (must be pre-heated before ignition can occur) liquid Sweet, chloroform-like odor.
Physical properties
Colorless liquid with a pleasant, sweet, chloroform-like odor
Uses
The use of 1,1,2-trichloroethane is quite restrictive. It is used to a slight extent as a specialty solvent and mostly as a chemical intermediate; a solvent for fats, waxes, natural resins, alkaloids, and various other organic materials; as an intermediate in production of vinylidene chloride and teflon tubing; and as a component of adhesives. The availability of other less toxic solvents discourages its use. More than 95% of this compound manufactured in the United States is consumed in producing vinylidene chloride. Domestic production is about 410 million pounds. It must not be confused with its much less toxic isomer, 1,1,1- trichloroethane.
Definition
ChEBI: A member of the class of chloroethanes that is ethane substituted by chloro groups at positions 1, 1 and 2.
General Description
A clear light colored liquid. Flash point between 0 and 74°F. Insoluble in water and slightly denser than water. Hence sinks in water. May be toxic by inhalation.
Reactivity Profile
1,1,2-Trichloroethane is sensitive to light and heat. Incompatible with strong oxidizing agents and strong bases. Reacts violently with sodium, potassium, magnesium, and aluminum. Attacks some plastics, rubber and coatings.
Health Hazard
Inhalation causes irritation of the nose, throat, and lungs. High concentrations may cause death by respiratory failure. Highly toxic by ingestion; may cause liver or kidney damage or myocardial irritability. Causes severe irritation of the gastrointestinal tract. Vapor may produce superficial skin burns or defatting type dermatitis and may irritate the eyes.
Safety Profile
Suspected carcinogen with experimental carcinogenic data. Poison by ingestion, intravenous, and subcutaneous routes. Moderately toxic by inhalation, skin contact, and intraperitoneal routes. Experimental reproductive effects. Mutation data reported. An eye and severe skin irritant. Has narcotic properties and acts as a local irritant to the eyes, nose, and lungs. It may also be injurious to the liver and kidneys. Incompatible with potassium. When heated to decomposition it emits toxic fumes of Cl-. See also CHLORINATED HYDROCARBONS, ALIPHATIC; and other trichloroethane entries,
Potential Exposure
1,1,2-Trichloroethane is used as an intermediate in the production of vinylidine chloride, and a component of adhesives; as a solvent; but is not as widely used as is its isomer 1,1,1-Trichloroethane; it is an isomer of 1,1,1-Trichloroethane but should not be confused with it toxicologically. 1,1,2-Trichloroethane is comparable to carbon tetrachloride and tetrachloroethane in toxicity. Forms a flammable vaporair mixture at 43℃ and higher.
Carcinogenicity
According to the NCI,
1,1,2-trichloroethane has been included in the NCI bioassay
program, in which it was fed by gavage to rats and mice. As in
many of these studies with hepatotoxic compounds, hepatocellular
carcinomas occurred in mice but not in rats fed for
78 weeks. Rats were kept an additional 35 weeks and mice
13 weeks following treatment. Pheochromocytomas were
also observed in mice. The doses fed were 92 and 46 mg/kg/
day for rats and 390 and 195 mg/kg/day for mice. Mortality
was accelerated in female mice but not in the rats or male
mice. The NCI report does not indicate the degree of noncarcinogenic
histopathology produced by these doses.
In a bioassay conducted by NCI, technical-grade
(92.7% pure) 1,1,2-trichloroethane was administered by
gavage in corn oil to Osborne–Mendel rats and B6C3F1
mice: (50/species/sex/dose) for each of two doses and 20 animals/
species/sex for each of two control groups. Administration
was five times/week for 78 weeks, during which time
doses for rats were increased from 70 and 30 mg/kg/day to
100 and 50 mg/kg/day and doses for mice were increased
from 300 and 150 mg/kg/day to 400 and 200 mg/kg/day.
By two statistical tests, treatment of mice was found to be
associated with increased incidence of hepatocellular carcinomas.
A dose-related increase in pheochromocytomas was
also confirmed in female mice. Tumors found in treated but
not control rats included adrenal cortical carcinomas; transitional
cell carcinomas of kidney; renal tubular adenomas; and
hemangiosarcomas of spleen, pancreas, abdomen, and subcutaneous
tissue. There was, however, no statistically significant
increase in tumor incidence in rats as a function of
treatment.
IRIS classifies this compound as C, possible human
carcinogen on the basis of hepatocellular carcinomas and
pheochromocytomas in one strain of mice. Carcinogenicity
was not shown in rats. 1,1,2-Trichloroethane is structurally
related to 1,2-dichloroethane, a probable human carcinogen.
There are no human carcinogenicity data.
Environmental Fate
Biological. Vinyl chloride was reported to be a biodegradation product from an anaerobic
digester at a wastewater treatment facility (Howard, 1990). Under aerobic conditions,
Pseudomonas putida oxidized 1,1,2-trichloroethane to chloroacetic and glyoxylic acids.
Simultaneously, 1,1,2-trichloroethane is reduced to vinyl chloride exclusively (Castro and Belser,1990). In a static-culture-flask screening test, 1,1,2-trichloroethane was statically incubated in the
dark at 25 °C with yeast extract and settled domestic wastewater inoculum. Biodegradative
activity was slow to moderate, concomitant with a significant rate of volatilization (Tabak et al.,
1981).
Chemical/Physical. Products of hydrolysis include chloroacetaldehyde, 1,1-dichloroethylene,
and HCl. The aldehyde is subject to hydrolysis forming hydroxyacetaldehyde and HCl (Kollig,
1993). The reported half-life for this reaction at 20 °C is 170 yr (Vogel et al., 1987). Under
alkaline conditions, 1,1,2-trichloroethane hydrolyzed to 1,2-dichloroethylene. The reported
hydrolysis half-life in water at 25 °C and pH 7 is 139.2 yr (Sata and Nakajima, 1979).
Shipping
UN3082 Environmentally hazardous substances, liquid, n.o.s., Hazard class: 9; Labels: 9-Miscellaneous hazardous material, Technical Name Required.
Purification Methods
Purify the chloroethane as for 1,1,1-trichloroethane above. [Beilstein 1 IV 139.]
Structure and conformation
1,1,2-Trichloroethane (TCE) is liquid at room temperature, and below 237 K, it displays a monoclinic phase, referred to as phase α, characterized by the simultaneous presence of distinct molecular conformers and orientations, accompanied by site disorder close to the melting point. At high pressure, a different monoclinic solid phase is observed (referred to as phase β), which at room temperature is stable above 0.82 GPa. Different conformers are present in the different phases of TCE. The gauche conformer is energetically more stable in isolation and by far the most abundant in the gas phase, where intermolecular interactions are negligible. Vibrational and NMR studies on the pure solvent have shown instead that in the liquid phase, the C2H3Cl3 molecules exist in both gauche and transoid conformations with comparable concentrations. Only transoid conformers are observed in the β crystalline phase (at high pressure)[1].
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 acids, strong caustics; chemically active metals;, such as aluminum, magnesium powders, sodium, potassium. Attacks some plastics, rubber, coatings, steel, and zinc.
Waste Disposal
Consult with environmental regulatory agencies for guidance on acceptable disposal practices. Generators of waste containing this contaminant (≥100 kg/mo) must conform with EPA regulations governing storage, transportation, treatment, and waste disposal. Incineration, preferably after mixing with another combustible fuel. Care must be exercised to assure complete combustion to prevent the formation of phosgene. An acid scrubber is necessary to remove the halo acids produced.
References
[1] Michela Romanini. “Simultaneous Orientational and Conformational Molecular Dynamics in Solid 1,1,2-Trichloroethane.” The Journal of Physical Chemistry C 122 10 (2018): 5774–5783.
1,1,2-Trichloroethane Preparation Products And Raw materials
Raw materials
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chevron_right| Supplier | Tel | Country | ProdList | Advantage | Inquiry |
|---|---|---|---|---|---|
| A.J Chemicals | 91-9810153283 | New Delhi, India | 6124 | 58 | Inquiry |
| CLEARSYNTH LABS LTD. | +91-22-45045900 | Hyderabad, India | 6351 | 58 | Inquiry |
| CHEMSWORTH | +91-261-2397244 | New Delhi, India | 6707 | 30 | Inquiry |
| TCI Chemicals (India) Pvt. Ltd. | 1800 425 7889 | New Delhi, India | 6778 | 58 | Inquiry |
| Alfa Aesar | 1 800 209 7001 | Maharashtra, India | 6913 | 58 | Inquiry |
| Henan Fengda Chemical Co., Ltd | +86-371-86557731 +86-13613820652 | China | 20323 | 58 | Inquiry |
| Henan Tianfu Chemical Co.,Ltd. | +86-0371-55170693 +86-19937530512 | China | 21675 | 55 | Inquiry |
| career henan chemical co | +86-0371-86658258 +8613203830695 | China | 29900 | 58 | Inquiry |
| Xiamen AmoyChem Co., Ltd | +86-592-6051114 +8618959220845 | China | 6387 | 58 | Inquiry |
| Xi'an Kono chem co., Ltd., | 029-86107037 13289246953 | China | 2995 | 58 | Inquiry |
| Supplier | Advantage |
|---|---|
| A.J Chemicals | 58 |
| CLEARSYNTH LABS LTD. | 58 |
| CHEMSWORTH | 30 |
| TCI Chemicals (India) Pvt. Ltd. | 58 |
| Alfa Aesar | 58 |
| Henan Fengda Chemical Co., Ltd | 58 |
| Henan Tianfu Chemical Co.,Ltd. | 55 |
| career henan chemical co | 58 |
| Xiamen AmoyChem Co., Ltd | 58 |
| Xi'an Kono chem co., Ltd., | 58 |
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