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CAS No.: | 630-20-6 |
---|---|
Name: | 1,1,1,2-Tetrach loroethane |
Article Data: | 50 |
Molecular Structure: | |
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: | Xn,T,F |
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 |
2,2,2-Trichloroethyl chloroformate
A
1,1,1,2-tetrachoroethane
B
bis(2,2,2-trichloroethyl) carbonate
Conditions | Yield |
---|---|
With hexabutylguanidinium chloride at 100℃; for 168h; | A 1% B 99% |
1,1,1-trichloroethane
A
1,1,1,2-tetrachoroethane
B
1,1-Dichloroethylene
C
pentachloroethane
Conditions | Yield |
---|---|
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% |
Conditions | Yield |
---|---|
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% |
diethyl ether
hexachloroethane
ethylmagnesium bromide
A
1,1,2,2-tetrachloroethylene
B
1,1,1,2-tetrachoroethane
C
pentachloroethane
D
1,1,2,2-tetrachloroethane
diethyl ether
hexachloroethane
A
1,1,2,2-tetrachloroethylene
B
1,1,1,2-tetrachoroethane
C
pentachloroethane
D
1,1,2,2-tetrachloroethane
Conditions | Yield |
---|---|
durch Chlorierung; |
Conditions | Yield |
---|---|
durch Chlorierung im Sonnenlicht; |
1,1,1-trichloroethane
A
1,1,1,2-tetrachoroethane
B
pentachloroethane
C
hexachloroethane
Conditions | Yield |
---|---|
Chlorierung im Sonnenlicht; |
Conditions | Yield |
---|---|
With chlorine at 25 - 40℃; | |
With chlorine; iron at 20 - 30℃; | |
With nitrosylchloride at 25℃; | |
With chlorine; iron(III) chloride |
Conditions | Yield |
---|---|
With nitrosylchloride at 25℃; |
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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.
NIOSH REL: (1,1,1,2-Tetrachloroethane) Handle with caution
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%.
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. |