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| CAS No.: | 79-01-6 |
|---|---|
| Name: | Trichloroethylene |
| Molecular Structure: | |
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| Formula: | C2HCl3 |
| Molecular Weight: | 131.389 |
| Synonyms: | Ethene,trichloro- (9CI);Ethylene, trichloro- (8CI);1,1,2-Trichloroethylene;Algylen;Anamenth;Chlorilen;Chlorylen;Densinfluat;Ethinyl trichloride;Ethylenetrichloride;F 1120;Fluate;Germalgene;LPS HDX Heavy Duty Degreaser;Narcogen;Narkosoid;R 1120;TCE;TCE (chlorohydrocarbon);Threthylen;Threthylene;Trethylene;Trichloran;Trichloren;Trichloroethene;Trichloroethylene;Triclene;Trielene;Trielin;Trieline;Triklone N;Trilen;Trilene;Trimar;Westrosol; |
| EINECS: | 201-167-4 |
| Density: | 1.474 g/cm3 |
| Melting Point: | -86 °C |
| Boiling Point: | 87.2 °C at 760 mmHg |
| Flash Point: | 12.1 °C |
| Solubility: | Slightly soluble in water. 0.11 g/100 mL |
| Appearance: | colourless liquid |
| Hazard Symbols: |
|
| Risk Codes: | 45-36/38-52/53-67-68-39/23/24/25-23/24/25 |
| Safety: | 53-45-61-36/37 |
| Transport Information: | UN 1710 6.1/PG 3 |
| PSA: | 0.00000 |
| LogP: | 2.50170 |
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| Conditions | Yield |
|---|---|
| With hydrogenchloride; oxygen at 379.84℃; Reagent/catalyst; Temperature; | 74.3% |
| With chlorine at 379.84℃; Gas phase; chemoselective reaction; | 57.3% |
| at 350 - 400℃; bei der Einwirkung von Luft; |
| Conditions | Yield |
|---|---|
| With hydrogenchloride; oxygen at 379.84℃; for 18h; | A 20.8% B 64.3% |
| With CuCl2/KCl/attapulgite; chlorine at 379.84℃; Gas phase; chemoselective reaction; | A 16.6% B 45% |
- 79-34-5
1,1,2,2-tetrachloroethane
A
- 127-18-4
1,1,2,2-tetrachloroethylene
B
- 79-01-6
Trichloroethylene
C
- 76-01-7
pentachloroethane
| Conditions | Yield |
|---|---|
| With hydrogenchloride; oxygen at 379.84℃; | A 20.8% B 64.3% C 6.1% |
- 127-18-4
1,1,2,2-tetrachloroethylene
A
- 156-59-2
cis-1,2-Dichloroethylene
B
- 79-01-6
Trichloroethylene
C
- 74-86-2
acetylene
| Conditions | Yield |
|---|---|
| With iron sulfide In water for 2922h; pH=8.3; Kinetics; Product distribution; Dehydrochlorination; | A 1% B 1% C 56% |
| With iron sulfide; rac-cysteine In water for 2922h; pH=8.3; Kinetics; Product distribution; Dehydrochlorination; | A 1% B 2% C 19% |
- 473-29-0
N,N-Dichlorobenzenesulfonamide
- 540-59-0
1,2-Dichloroethylene
A
- 98-10-2
benzenesulfonamide
B
- 127-18-4
1,1,2,2-tetrachloroethylene
C
- 79-01-6
Trichloroethylene
D
- 55596-11-7
N-(2,2,2-trichloroethylidene)benzenesulfonamide
E
- 113791-97-2
N-(2,2-dichloroethylidene)benzenesulfonamide
F
- 79054-58-3
N-{2,2-dichloro-1-[(phenylsulfonyl)amino]ethyl}benzenesulfonamide
| Conditions | Yield |
|---|---|
| at 55℃; for 22h; Product distribution; other time, other temperature, other initiator; | A n/a B n/a C n/a D n/a E n/a F 54.1% |
- 473-29-0
N,N-Dichlorobenzenesulfonamide
- 540-59-0
1,2-Dichloroethylene
A
- 127-18-4
1,1,2,2-tetrachloroethylene
B
- 79-01-6
Trichloroethylene
C
- 55596-11-7
N-(2,2,2-trichloroethylidene)benzenesulfonamide
D
- 113791-97-2
N-(2,2-dichloroethylidene)benzenesulfonamide
E
- 79054-58-3
N-{2,2-dichloro-1-[(phenylsulfonyl)amino]ethyl}benzenesulfonamide
F
- 79-34-5
1,1,2,2-tetrachloroethane
| Conditions | Yield |
|---|---|
| at 55℃; for 22h; Product distribution; other time, other temperature, other initiator; | A n/a B n/a C n/a D n/a E 54.1% F n/a |
- 473-34-7
N,N-dichloro-p-toluenesulfonamide
- 540-59-0
1,2-Dichloroethylene
A
- 51608-61-8, 13707-44-3
N-(2,2,2-trichloroethyliden)-p-toluenesulfonamide
B
- 79-01-6
Trichloroethylene
C
- 92962-02-2
N-(2,2-dichloro-1-{[(4-methylphenyl)sulfonyl]amino}ethyl)-4-methylbenzenesulfonamide
D
- 70-55-3
toluene-4-sulfonamide
E
- 113792-00-0
N-[2,2-Dichloro-eth-(E)-ylidene]-4-methyl-benzenesulfonamide
F
- 79-34-5
1,1,2,2-tetrachloroethane
| Conditions | Yield |
|---|---|
| at 55℃; for 22h; Product distribution; other time, other temperature, other initiator; | A n/a B n/a C 44.1% D n/a E n/a F n/a |
- 127-18-4
1,1,2,2-tetrachloroethylene
A
- 156-59-2
cis-1,2-Dichloroethylene
B
- 156-60-5
trans-1,2-dichloroethylene
C
- 79-01-6
Trichloroethylene
| Conditions | Yield |
|---|---|
| With methanol at 20℃; Inert atmosphere; UV-irradiation; | A n/a B n/a C 43% |
| With Desulfomonile tiedjei DCB-1 In water at 35℃; Kinetics; Further Variations:; Reagents; time; concentration; Dehalogenation; |
| Conditions | Yield |
|---|---|
| With hexacarbonyl molybdenum at 140℃; for 3h; further reagent Fe(CO)5; | A 42% B 23% |
| With iron pentacarbonyl at 140℃; for 3h; further reagent Mo(CO)6; | A 27% B 23% |
- 18163-67-2
(2,2-dichloro-vinyl)-trimethyl-silane
A
- 75-77-4
chloro-trimethyl-silane
B
- 79-01-6
Trichloroethylene
| Conditions | Yield |
|---|---|
| With chlorine for 3h; Further byproducts given; | A 7% B 5% C 30% D 33% |
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- Total:26 Page 1 of 1 1
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History
Trichloroethylene (CAS NO.79-01-6) was pioneered by Imperial Chemical Industries in Britain, Trichloroethylene's development was hailed as an anesthetic revolution.However,the introduction of halothane in 1956 greatly diminished the use of TCE as a general anesthetic. TCE was still used as an inhalation analgesic in childbirth given by self-administration.Nowadays, Groundwater contamination by TCE has become an important environmental concern.
Specification
The Trichloroethylene, with the cas registry number 79-01-6, is a kind of colorless oily liquid with the similar smell with chloroform. This chemical is slight soluble in water and completely soluble in common organic solvent and it is stable chemically while incompatible with oxidizing agents, aluminium, magnesium, strong bases, reducing agents. Besides, it is light-sensitive and then could react violently with many metals, ozone, potassium nitrate, potassium hydroxide, sodium hydroxide. In addition, its product categories are including refrigerants; Organics; Analytical Chemistry; Standard Solution of Volatile Organic Compounds for Water & Soil Analysis; Standard Solutions (VOC).
The physical properties of this chemical are as follows: (1)ACD/LogP: 2.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.26; (4)ACD/LogD (pH 7.4): 2.26; (5)ACD/BCF (pH 5.5): 30.61; (6)ACD/BCF (pH 7.4): 30.61; (7)ACD/KOC (pH 5.5): 402.89; (8)ACD/KOC (pH 7.4): 402.89; (9)Index of Refraction: 1.489; (10)Molar Refractivity: 25.76 cm3; (11)Molar Volume: 89.1 cm3; (12)Polarizability: 10.21 ×10-24 cm3; (13)Surface Tension: 31 dyne/cm; (14)Density: 1.474 g/cm3; (15)Flash Point: 12.1 °C; (16)Enthalpy of Vaporization: 31.4 kJ/mol; (17)Boiling Point: 87.2 °C at 760 mmHg; (18)Vapour Pressure: 72.4 mmHg at 25°C; (19)Exact Mass: 129.914383; (20)MonoIsotopic Mass: 129.914383; (21)Topological Polar Surface Area: 0; (22)Heavy Atom Count: 5; (23)Formal Charge: 0; (24)Complexity: 42.9.
Use of this chemical: Trichloroethylene could react to produce dichloroethyne, with the following condition: reagent: NaOH; reaction temp.: 260 °C.
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As to its usage, it is widely applied in many ways. It could be used in producing indigo and other dye and also could make henchloroacetic acid; It could aslo be used as the metal detergent, dry cleaning agent, agricultural insecticide in the field of industrial solvent; Then it is usually used in many other ways, such as being the noninflammable solvent, analysis reagent, extracting solvent, and also in chemical cleaning, industrial degreasing, and chemical raw materials.
When you are dealing with this kind of chemical, you should be much more careful and then take some measures to protect yourself. For one thing, it is irritating to eyes and skin. For another thing, it is toxic which has the danger of very serious irreversible effects through inhalation, in contact with skin and if swallowed. In addition, it is harmful to aquatic organisms which may cause long-term adverse effects in the aquatic environment. Then it has other hazard. It may cause cancer and will have possible risk of irreversible effects. Therefore, you should wear suitable protective clothing and gloves, and if in case of accident or if you feel unwell, seek medical advice immediately (show label where possible). And then avoid exposure - obtain special instruction before use. Lastly, do remember not to release to the environment, and you could refer to special instructions safety data sheet.
In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: C(=C(Cl)Cl)Cl
(2)InChI: InChI=1S/C2HCl3/c3-1-2(4)5/h1H
(3)InChIKey: XSTXAVWGXDQKEL-UHFFFAOYSA-N
Below are the toxicity information of this chemical:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| cat | LCLo | inhalation | 32500mg/m3/2H (32500mg/m3) | PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE BEHAVIORAL: GENERAL ANESTHETIC BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) | Archiv fuer Hygiene und Bakteriologie. Vol. 116, Pg. 131, 1936. |
| cat | LDLo | oral | 5864mg/kg (5864mg/kg) | "Handbook of Toxicology," 4 vols., Philadelphia, W.B. Saunders Co., 1956-59Vol. 5, Pg. 76, 1959. | |
| dog | LD50 | intraperitoneal | 1900mg/kg (1900mg/kg) | LIVER: LIVER FUNCTION TESTS IMPAIRED | Toxicology and Applied Pharmacology. Vol. 10, Pg. 119, 1967. |
| dog | LDLo | intravenous | 150mg/kg (150mg/kg) | Quarterly Journal of Pharmacy & Pharmacology. Vol. 7, Pg. 205, 1934. | |
| dog | LDLo | subcutaneous | 150mg/kg (150mg/kg) | "Handbook of Toxicology," 4 vols., Philadelphia, W.B. Saunders Co., 1956-59Vol. 5, Pg. 76, 1959. | |
| guinea pig | LCLo | inhalation | 37200ppm/40M (37200ppm) | "Handbook of Toxicology," 4 vols., Philadelphia, W.B. Saunders Co., 1956-59Vol. 5, Pg. 76, 1959. | |
| human | LDLo | oral | 7gm/kg (7000mg/kg) | Archives of Toxicology. Vol. 35, Pg. 295, 1976. | |
| human | TCLo | inhalation | 160ppm/83M (160ppm) | BEHAVIORAL: "HALLUCINATIONS, DISTORTED PERCEPTIONS" | American Industrial Hygiene Association Journal. Vol. 23, Pg. 167, 1962. |
| human | TCLo | inhalation | 500ppm/16.1Y- (500ppm) | KIDNEY, URETER, AND BLADDER: CHANGES IN BOTH TUBULES AND GLOMERULI KIDNEY, URETER, AND BLADDER: PROTEINURIS | Archives of Toxicology. Vol. 73, Pg. 246, 1999. |
| human | TCLo | inhalation | 812mg/kg (812mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LIVER: "JAUNDICE, OTHER OR UNCLASSIFIED" GASTROINTESTINAL: OTHER CHANGES | British Medical Journal. Vol. 2, Pg. 689, 1945. |
| human | TCLo | inhalation | 6900mg/m3/10M (6900mg/m3) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: "HALLUCINATIONS, DISTORTED PERCEPTIONS" | Archiv fuer Hygiene und Bakteriologie. Vol. 116, Pg. 131, 1936. |
| man | LCLo | inhalation | 2900ppm (2900ppm) | New Zealand Medical Journal. Vol. 50, Pg. 119, 1951. | |
| man | TCLo | inhalation | 110ppm/8H (110ppm) | SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE BEHAVIORAL: "HALLUCINATIONS, DISTORTED PERCEPTIONS" | British Journal of Industrial Medicine. Vol. 28, Pg. 293, 1971. |
| man | TDLo | oral | 1mL/kg (1mL/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: TREMOR BEHAVIORAL: COMA | Toxicological Sciences. Vol. 41, Pg. 157, 1998. |
| man | TDLo | oral | 2143mg/kg (2143mg/kg) | GASTROINTESTINAL: OTHER CHANGES | "Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969Vol. -, Pg. 602, 1969. |
| mouse | LC50 | inhalation | 8450ppm/4H (8450ppm) | Acta Pharmacologica et Toxicologica. Vol. 9, Pg. 303, 1953. | |
| mouse | LD50 | intravenous | 33900ug/kg (33.9mg/kg) | "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 6, Pg. 141, 1954. | |
| mouse | LD50 | oral | 2402mg/kg (2402mg/kg) | BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: ATAXIA SKIN AND APPENDAGES (SKIN): HAIR: OTHER | National Technical Information Service. Vol. AD-A080-636, |
| mouse | LD50 | subcutaneous | 16gm/kg (16000mg/kg) | BEHAVIORAL: SLEEP BEHAVIORAL: ATAXIA | Journal of Pharmacology and Experimental Therapeutics. Vol. 123, Pg. 224, 1958. |
| rabbit | LCLo | inhalation | 11000ppm (11000ppm) | FAO Nutrition Meetings Report Series. Vol. 48A, Pg. 121, 1970. | |
| rabbit | LD50 | skin | > 20gm/kg (20000mg/kg) | National Technical Information Service. Vol. AD-A062-138, | |
| rabbit | LDLo | oral | 7330mg/kg (7330mg/kg) | "Handbook of Toxicology," 4 vols., Philadelphia, W.B. Saunders Co., 1956-59Vol. 5, Pg. 76, 1959. | |
| rabbit | LDLo | subcutaneous | 1800mg/kg (1800mg/kg) | Quarterly Journal of Pharmacy & Pharmacology. Vol. 7, Pg. 205, 1934. | |
| rat | LCLo | inhalation | 4800ppm/4H (4800ppm) | AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 4, Pg. 469, 1951. | |
| rat | LD50 | intraperitoneal | 1282mg/kg (1282mg/kg) | Environmental Research. Vol. 40, Pg. 411, 1986. | |
| rat | LD50 | oral | 4920mg/kg (4920mg/kg) | Industrial Health. Vol. 32, Pg. 145, 1994. | |
| rat | LDLo | intratracheal | 150mg/kg (150mg/kg) | National Technical Information Service. Vol. OTS0520615, |