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

Modify Date: 2024-01-04 08:05:25

Ethane,1,1,1,2,2-pentachloro- Structure
Ethane,1,1,1,2,2-pentachloro- structure
 Common Name Ethane,1,1,1,2,2-pentachloro-
CAS Number 76-01-7 Molecular Weight 202.29400
Density 1.68 g/mL at 25 °C(lit.) Boiling Point 161-162 °C(lit.)
Molecular Formula C2HCl5 Melting Point -29--22°C
MSDS Chinese USA Flash Point 162°C
Symbol GHS07 GHS08 GHS09
GHS07, GHS08, GHS09		 Signal Word Danger

 Names

Name pentachloroethane
Synonym More Synonyms

 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.

 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
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

 Articles23

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

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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.

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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...

 Synonyms

MFCD00000846
Pentachloroethane
EINECS 200-925-1
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