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

Modify Date: 2026-07-03 15:54:48

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	Signal Word	Danger

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

Name	pentachloroethane
Synonym	More Synonyms

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

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.)
InChIKey	BNIXVQGCZULYKV-UHFFFAOYSA-N
SMILES	ClC(Cl)C(Cl)(Cl)Cl
Stability	Stable. Non-flammable. Incompatible with strong oxidizing agents. May react violently with alkalies or metals.

This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.

Ethane,1,1,1,2,2-pentachloro MSDS(Chinese)

This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.

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)

This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.

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

This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.

This table lists upstream starting materials and downstream derivative products related to this chemical.

Precursor 10
CAS#:71-55-6 1,1,1-Trichloro... CAS#:79-01-6 Trichloroethylene CAS#:79-34-5 1,1,2,2-Tetrach... CAS#:156-60-5 (E)-1,2-Dichlor...
CAS#:75-68-3 f 142b CAS#:505-60-2 Mustard gas CAS#:67-66-3 Chloroform CAS#:74-86-2 Acetylene
CAS#:75-34-3 Ethane, 1,1-dichloro CAS#:75-87-6 Chloral
DownStream 10
CAS#:354-21-2 1,2,2-Trichloro... CAS#:354-14-3 1,1,2,2-tetrach... CAS#:354-23-4 1,2-dichlorotri... CAS#:354-25-6 1-chloro-1,1,2,...
CAS#:76-12-0 1,2-difluorotet... CAS#:14049-36-6 chloro(trifluor... CAS#:354-33-6 Pentafluoroethane CAS#:2837-89-0 2-Chloro-1,1,1,...
CAS#:18356-71-3 dichloro(difluo... CAS#:14965-52-7 trichloro(fluor...

This table lists relevant public references with title, journal and publication metadata for this compound.

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...

This table contains target information, in‑vitro & in‑vivo assay data for this compound.

Name: Cytochrome P450 Family 1 Subfamily A Member 2 (CYP1A2) small molecule antagonists: lu...
Source: 824
External Id: CYP273

Name: qHTS assay to identify small molecule antagonists of the peroxisome proliferator-acti...
Source: 824
Target: N/A
External Id: PPARGV841

Name: qHTS assay to identify small molecule agonists of the TGF-beta/Smad signaling pathway...
Source: 824
Target: N/A
External Id: TGF788

Name: qHTS assay to identify small molecule antagonists of the TGF-beta/Smad signaling path...
Source: 824
Target: N/A
External Id: TGF602

Name: qHTS assay to test for compound auto fluorescence at 535 nm (green) in HEK293 cell fr...
Source: 824
Target: N/A
External Id: SPEC167MG

Name: p53 small molecule agonists, cell-based qHTS assay: qHTS cell viability counter scree...
Source: 824
Target: N/A
External Id: P53600

Name: qHTS assay to identify small molecule agonists of the peroxisome proliferator-activat...
Source: 824
Target: N/A
External Id: PPARDV813

Name: qHTS assay to test for compound auto fluorescence at 590 nm (red) in HEK293 cell free...
Source: 824
Target: N/A
External Id: SPEC167MR

Name: p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes: qHTS ce...
Source: 824
Target: N/A
External Id: P53MS958

Name: qHTS assay to test for compound auto fluorescence at 535 nm (green) in HEK293 cells
Source: 824
Target: N/A
External Id: SPEC167CG

Total 191, Current Page 1 of 20

This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.

MFCD00000846

Pentachloroethane

EINECS 200-925-1

This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: What are the upstream materials of pentachloroethane?

A: Related upstream materials(CAS) of pentachloroethane: 71-55-6;79-01-6;79-34-5;156-60-5;75-68-3;505-60-2;67-66-3;74-86-2;75-34-3;75-87-6.

Q: What is the boiling point of pentachloroethane?

A: Boiling point of pentachloroethane is 161-162 °C(lit.).

Q: What is the LogP of pentachloroethane?

A: LogP of pentachloroethane is 3.16030.

Q: What is the molecular weight of pentachloroethane?

A: Molecular weight of pentachloroethane is 202.29400.

Q: What is the safety information for pentachloroethane?

A: Safety information for pentachloroethane: S23-S36/37-S45-S61-S26.

Q: What is the English name of pentachloroethane?

A: The English name of pentachloroethane is pentachloroethane.

Q: What is the melting point of pentachloroethane?

A: Melting point of pentachloroethane is -29--22°C.

Q: What is the InChIKey of pentachloroethane?

A: InChIKey of pentachloroethane is BNIXVQGCZULYKV-UHFFFAOYSA-N.

Q: What are the downstream products of pentachloroethane?

A: Related downstream products(CAS) of pentachloroethane: 354-21-2;354-14-3;354-23-4;354-25-6;76-12-0;14049-36-6;354-33-6;2837-89-0;18356-71-3;14965-52-7.

Q: What is the SMILES notation of pentachloroethane?

A: SMILES notation of pentachloroethane is ClC(Cl)C(Cl)(Cl)Cl.

This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.

Dayang Chem (Hangzhou) Co., Ltd.

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China
Product Name: Palmitic acid
Price: Check
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Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: Ethane,1,1,1,2,2-pentachloro-
Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
Purity: 98.0%
Delivery: Inquiry
Contact: Ms Wang
Email: enquiry@dycnchem.com

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

Names

Chemical & Physical Properties

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

MUTATION DATA

Safety Information

Synthetic Route

Precursor & DownStream

Articles23

Ethane,1,1,1,2,2-pentachloroBioassay

Synonyms

Ethane,1,1,1,2,2-pentachloro | FAQ

Ethane,1,1,1,2,2-pentachlorofactory

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