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
Precursor & DownStream
Precursor
DownStream
Articles
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...