Ethane,1,1,1,2,2-pentachloro-

Names

[ CAS No. ]:
76-01-7

[ Name ]:
Ethane,1,1,1,2,2-pentachloro-

[Synonym ]:
MFCD00000846
Pentachloroethane
EINECS 200-925-1

Chemical & Physical Properties

[ Density]:
1.68 g/mL at 25 °C(lit.)

[ Boiling Point ]:
161-162 °C(lit.)

[ Melting Point ]:
-29--22°C

[ Molecular Formula ]:
C₂HCl₅

[ Molecular Weight ]:
202.29400

[ Flash Point ]:
162°C

[ Exact Mass ]:
199.85200

[ LogP ]:
3.16030

[ Index of Refraction ]:
n20/D 1.502(lit.)

[ Stability ]:
Stable. Non-flammable. Incompatible with strong oxidizing agents. May react violently with alkalies or metals.

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: KI6300000

CHEMICAL NAME :: Ethane, pentachloro-

CAS REGISTRY NUMBER :: 76-01-7

BEILSTEIN REFERENCE NO. :: 1736845

LAST UPDATED :: 199712

DATA ITEMS CITED :: 35

MOLECULAR FORMULA :: C2-H-Cl5

MOLECULAR WEIGHT :: 202.28

WISWESSER LINE NOTATION :: GYGXGGG

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 920 mg/kg

TOXIC EFFECTS :: Behavioral - altered sleep time (including change in righting reflex) Behavioral - ataxia Liver - other changes

TYPE OF TEST :: LC50 - Lethal concentration, 50 percent kill

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 4238 ppm/2H

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LCLo - Lowest published lethal concentration

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 35 gm/m3/2H

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Mammal - dog

DOSE/DURATION :: 500 mg/kg

TOXIC EFFECTS :: Behavioral - sleep Liver - hepatitis (hepatocellular necrosis), zonal Liver - fatty liver degeneration

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Mammal - dog

DOSE/DURATION :: 100 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 700 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 7 gm/kg/14D-C

TOXIC EFFECTS :: Related to Chronic Data - death

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 32500 mg/kg/13W-I

TOXIC EFFECTS :: Related to Chronic Data - death

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 14 gm/kg/14D-C

TOXIC EFFECTS :: Related to Chronic Data - death

TYPE OF TEST :: Mutation test systems - not otherwise specified

MUTATION DATA

TYPE OF TEST :: Sex chromosome loss and nondisjunction

TEST SYSTEM :: Human Lung

REFERENCE :: MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 369,243,1996 *** REVIEWS *** IARC Cancer Review:Animal Limited Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 41,99,1986 IARC Cancer Review:Human No Adequate Data IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 41,99,1986 IARC Cancer Review:Group 3 IMSUDL IARC Monographs, Supplement. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) No.1- 1979- Volume(issue)/page/year: 7,56,1987 TOXICOLOGY REVIEW AIHAAP American Industrial Hygiene Association Journal. (AIHA, 475 Wolf Ledges Pkwy., Akron, OH 44311) V.19- 1958- Volume(issue)/page/year: 40(3),A46,1979 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-DENMARK:TWA 5 ppm (40 mg/m3);Skin JAN 1993 OEL-FINLAND:TWA 5 ppm (40 mg/m3);STEL 10 ppm (80 mg/m3) JAN 1993 OEL-GERMANY:TWA 5 ppm (40 mg/m3) JAN 1993 OEL-THE NETHERLANDS:TWA 5 ppm (40 mg/m3) JAN 1993 OEL-SWITZERLAND:TWA 5 ppm (40 mg/m3);STEL 10 ppm (80 mg/m3) JAN 1993 OEL-TURKEY:TWA 5 ppm (40 mg/m3) JAN 1993 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH RECOMMENDED EXPOSURE LEVEL (REL) : NIOSH REL TO PENTACHLOROETHANE-air:Handle with caution REFERENCE : NIOSH* National Institute for Occupational Safety and Health, U.S. Dept. of Health, Education, and Welfare, Reports and Memoranda. Volume(issue)/page/year: DHHS #92-100,1992 NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X6173 No. of Facilities: 3 (estimated) No. of Industries: 1 No. of Occupations: 7 No. of Employees: 232 (estimated) No. of Female Employees: 3 (estimated)

Safety Information

[ Symbol ]:

GHS07, GHS08, GHS09

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H302-H351-H372-H411

[ Precautionary Statements ]:
P273-P301 + P312 + P330-P314-P391-P501

[ Personal Protective Equipment ]:
Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter

[ Hazard Codes ]:
T,N

[ Risk Phrases ]:
R40;R48/23;R51/53

[ Safety Phrases ]:
S23-S36/37-S45-S61-S26

[ RIDADR ]:
UN 1669 6.1/PG 2

[ WGK Germany ]:
2

[ RTECS ]:
KI6300000

[ Packaging Group ]:
II

[ Hazard Class ]:
6.1

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

1,1,1-Trichloroethane
Trichloroethylene
1,1,2,2-Tetrachloroethane
(E)-1,2-Dichloroethene
f 142b
Mustard gas
Chloroform
Acetylene
Ethane, 1,1-dichloro-
Chloral

DownStream

1,2,2-Trichloro-1,1-difluoroethane
1,1,2,2-tetrachloro-1-fluoroethane
1,2-dichlorotrifluoroethane
1-chloro-1,1,2,2-tetrafluoroethane
1,2-difluorotetrachloroethane
chloro(trifluoro)silane
Pentafluoroethane
2-Chloro-1,1,1,2-tetrafluoroethane
dichloro(difluoro)silane
trichloro(fluoro)silane

Articles

QSPR modeling of octanol/water partition coefficient for vitamins by optimal descriptors calculated with SMILES.

Eur. J. Med. Chem. 43 , 714-40, (2008)

Simplified molecular input line entry system (SMILES) has been utilized in constructing quantitative structure-property relationships (QSPR) for octanol/water partition coefficient of vitamins and org...

Development of QSAR models for predicting hepatocarcinogenic toxicity of chemicals.

Eur. J. Med. Chem. 44 , 3658-64, (2009)

A dataset comprising 55 chemicals with hepatocarcinogenic potency indices was collected from the Carcinogenic Potency Database with the aim of developing QSAR models enabling prediction of the above u...

Enzyme-catalyzed dehalogenation of pentachloroethane: why F87W-cytochrome P450cam is faster than wild type.

Protein Eng. 8(8) , 801-7, (1995)

Under anaerobic conditions, cytochromes P450 can reductively dehalogenate heavily halogenated hydrocarbons, such as one- and two-carbon organic solvents. This catalytic capacity has drawn attention to...

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