CAS No.79-01-6,Trichloroethylene Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	79-01-6
Name:	Trichloroethylene
Article Data:	167

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

Synthetic route

: 79-34-5
1,1,2,2-tetrachloroethane

: 79-01-6
Trichloroethylene

Conditions

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;

: 79-34-5
1,1,2,2-tetrachloroethane

A: 127-18-4
1,1,2,2-tetrachloroethylene

B: 79-01-6
Trichloroethylene

Conditions

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

Conditions	Yield
With hydrogenchloride; oxygen at 379.84℃;	A 20.8% B 64.3% C 6.1%

...Expand

: 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

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%

...Expand

: 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

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%

...Expand

: 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

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

...Expand

: 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

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

...Expand

: 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

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;

...Expand

: 76-01-7
pentachloroethane

A: 79-01-6
Trichloroethylene

B: 79-34-5
1,1,2,2-tetrachloroethane

Conditions

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

C: Trimethyl-(1,2,2,2-tetrachloro-ethyl)-silane

D: Chloromethyl-dimethyl-(1,2,2,2-tetrachloro-ethyl)-silane

Conditions

Conditions	Yield
With chlorine for 3h; Further byproducts given;	A 7% B 5% C 30% D 33%

...Expand

Raw Materials

71-36-3

811-95-0

110-89-4

75-88-7

64-17-5

Downstream Products

76-15-3

76-13-1

144-62-7

201230-82-2

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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.

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,