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630-20-6

Basic Information
CAS No.: 630-20-6
Name: 1,1,1,2-Tetrach loroethane
Article Data: 50
Molecular Structure:
Molecular Structure of 630-20-6 (1,1,1,2-Tetrach loroethane)
Formula: C2H2Cl4
Molecular Weight: 167.85
Synonyms: (Chloromethyl)trichloromethane;1,1,1,2-Tetrachloroethane;F 130a;HCC 130a;
EINECS: 211-135-1
Density: 1.566 g/cm3
Melting Point: -70.2 °C
Boiling Point: 132.4 °C at 760 mmHg
Flash Point: 35.5 °C
Appearance: colourless liquid
Hazard Symbols: HarmfulXn,ToxicT,FlammableF
Risk Codes: 22-40-41-23/25-11-20/22
Safety: 26-36-45-24-16-7-39
Transport Information: UN 2810
PSA: 0.00000
LogP: 2.59540
Synthetic route
17341-93-4

2,2,2-Trichloroethyl chloroformate

A

630-20-6

1,1,1,2-tetrachoroethane

B

5634-37-7

bis(2,2,2-trichloroethyl) carbonate

Conditions
ConditionsYield
With hexabutylguanidinium chloride at 100℃; for 168h;A 1%
B 99%
71-55-6

1,1,1-trichloroethane

A

630-20-6

1,1,1,2-tetrachoroethane

B

75-35-4

1,1-Dichloroethylene

C

76-01-7

pentachloroethane

Conditions
ConditionsYield
With chlorine at 25℃; Irradiation;A 92.5%
B 2.4%
C 5.1%
With chlorine at 25℃; Irradiation;A 89.9%
B 4.7%
C 5.3%
71-55-6

1,1,1-trichloroethane

A

630-20-6

1,1,1,2-tetrachoroethane

B

75-35-4

1,1-Dichloroethylene

Conditions
ConditionsYield
With chlorine at 200℃; Mechanism; Irradiation; other temperature; other laser; other Cl2 flow rate; other ratio educt/Cl2;A 61.3%
B 25.9%
With chlorine at 200℃; Irradiation;A 61.3%
B 25.9%
60-29-7

diethyl ether

67-72-1

hexachloroethane

925-90-6

ethylmagnesium bromide

A

127-18-4

1,1,2,2-tetrachloroethylene

B

630-20-6

1,1,1,2-tetrachoroethane

C

76-01-7

pentachloroethane

D

79-34-5

1,1,2,2-tetrachloroethane

60-29-7

diethyl ether

67-72-1

hexachloroethane

phenylmagnesium bromide

A

127-18-4

1,1,2,2-tetrachloroethylene

B

630-20-6

1,1,1,2-tetrachoroethane

C

76-01-7

pentachloroethane

D

79-34-5

1,1,2,2-tetrachloroethane

75-00-3

chloroethane

630-20-6

1,1,1,2-tetrachoroethane

Conditions
ConditionsYield
durch Chlorierung;
71-55-6

1,1,1-trichloroethane

630-20-6

1,1,1,2-tetrachoroethane

Conditions
ConditionsYield
durch Chlorierung im Sonnenlicht;
71-55-6

1,1,1-trichloroethane

A

630-20-6

1,1,1,2-tetrachoroethane

B

76-01-7

pentachloroethane

C

67-72-1

hexachloroethane

Conditions
ConditionsYield
Chlorierung im Sonnenlicht;
75-35-4

1,1-Dichloroethylene

630-20-6

1,1,1,2-tetrachoroethane

Conditions
ConditionsYield
With chlorine at 25 - 40℃;
With chlorine; iron at 20 - 30℃;
With nitrosylchloride at 25℃;
With chlorine; iron(III) chloride
75-35-4

1,1-Dichloroethylene

A

630-20-6

1,1,1,2-tetrachoroethane

B

6061-04-7

1,1-dichloro-2-nitro ethylene

Conditions
ConditionsYield
With nitrosylchloride at 25℃;
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    Product Name: 1,1,1,2-TETRACHLOROETHANE Synonyms: (Chloromethyl)trichloromethane;1,1,1,2,-tetrachlorethane;1,1,1,2-Tetrachlorethan;Tetrachloroethane;unsym-tetrachloroethane;1,1,1,2-TETRACHLOROETHANE, STANDARD FOR GC;1,1,1,2-TETRACHLOROETHANE

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Consensus Reports

IARC Cancer Review: Group 3 IMEMDT    IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 7 ,1987,p. 56.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Animal Limited Evidence IMEMDT    IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 41 ,1986,p. 87.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) . NTP Carcinogenesis Bioassay (gavage); Clear Evidence: mouse NTPTR*    National Toxicology Program Technical Report Series. (Research Triangle Park, NC 27709) No. NTP-TR-237 ,1982. ; (gavage); No Evidence: rat NTPTR*    National Toxicology Program Technical Report Series. (Research Triangle Park, NC 27709) No. NTP-TR-237 ,1982. . Reported in EPA TSCA Inventory.

Standards and Recommendations

NIOSH REL: (1,1,1,2-Tetrachloroethane) Handle with caution

Specification

The product name and IUPAC name of this chemical are the same which is called as 1,1,1,2-Tetrachloroethane. Its CAS registry number is 630-20-6. This chemical is also known as Ethane, 1,1,1,2-tetrachloro- which is a chlorinated hydrocarbon with the formula C2H2Cl4. It belongs to the product categories of Refrigerants; Organics; Analytical Chemistry; Standard Solution of Volatile Organic Compounds for Water & Soil Analysis; Standard Solutions (VOC); T-Z; Volatiles/ Semivolatiles; Fumigants Volatiles/ Semivolatiles; Alpha Sort; Chemical Class; Chloro Pesticides; Halogenated; Insecticides; TA - TE; T-ZAlphabetic; Alphabetic. Its EINECS registry number is 211-135-1. It is used as a solvent and in the production of wood stains and varnishes.

Physical properties of 1,1,1,2-Tetrachloroethane: (1)ACD/LogP: 2.48; (2)ACD/LogD (pH 5.5): 2.48; (3)ACD/LogD (pH 7.4): 2.48; (4)ACD/BCF (pH 5.5): 45.08; (5)ACD/BCF (pH 7.4): 45.08; (6)ACD/KOC (pH 5.5): 531.53; (7)ACD/KOC (pH 7.4): 531.53; (8)Index of Refraction: 1.484; (9)Molar Refractivity: 30.67 cm3; (10)Molar Volume: 107.1 cm3; (11)Surface Tension: 34.9 dyne/cm; (12)Density: 1.566 g/cm3; (13)Flash Point: 35.5 °C; (14)Enthalpy of Vaporization: 35.47 kJ/mol; (15)Boiling Point: 132.4 °C at 760 mmHg; (16)Vapour Pressure: 10.9 mmHg at 25°C.

Preparation of 1,1,1,2-Tetrachloroethane: this chemical can be prepared by 1,1,1-trichloro-ethane. This reaction will need reagent Cl2. The reaction temperature is 200 °C. The yield is about 61.3%.

1,1,1,2-Tetrachloroethane can be prepared by 1,1,1-trichloro-ethane

When you are using this chemical, please be cautious about it as the following:
This chemical may cause damage to health. It is harmful by inhalation, in contact with skin and if swallowed. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing. Finally, you must avoid contacting it with skin and eyes.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C(C(Cl)(Cl)Cl)Cl
(2)InChI: InChI=1S/C2H2Cl4/c3-1-2(4,5)6/h1H2
(3)InChIKey: QVLAWKAXOMEXPM-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1275mg/kg (1275mg/kg)   Sangyo Igaku. Japanese Journal of Industrial Health. Vol. 8, Pg. 371, 1966.
mouse LD50 oral 1500mg/kg (1500mg/kg)   Archives des Maladies Professionnelles de Medecine du Travail et de Securite Sociale. Vol. 35, Pg. 593, 1974.
rabbit LC50 inhalation 2800ppm/4H (2800ppm) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" Archives des Maladies Professionnelles de Medecine du Travail et de Securite Sociale. Vol. 35, Pg. 593, 1974.
rabbit LD50 skin 20gm/kg (20000mg/kg)   Archives des Maladies Professionnelles de Medecine du Travail et de Securite Sociale. Vol. 35, Pg. 593, 1974.
rat LC50 inhalation 2100ppm/4H (2100ppm) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" Archives des Maladies Professionnelles de Medecine du Travail et de Securite Sociale. Vol. 35, Pg. 593, 1974.
rat LD50 oral 670mg/kg (670mg/kg)   Archives des Maladies Professionnelles de Medecine du Travail et de Securite Sociale. Vol. 35, Pg. 593, 1974.