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Substance Name: Pentachloroethane
RN: 76-01-7
UNII: QOJ9TH7LDL
InChIKey: BNIXVQGCZULYKV-UHFFFAOYSA-N
Molecular Formula
- C2-H-Cl5
Molecular Weight
- 202.295
- All
- Classifications
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
Classification Codes
Classification Codes
- Drug / Therapeutic Agent
- Mutation Data
- TSCA Flag S (Substance is Identified in a Final Significant New Use Rule)
- Tumor Data
Superlist Classification Codes
- Overall Carcinogenic Evaluation: Group 3
- Reportable Quantity (RQ) = 10 lb
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Links to Resources
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Regulatory Agencies (Superlist Locators)
Other Resources (Internet Locators)
Search for this InChIKey on the Web
Names and Synonyms
Name of Substance
- Pentachloroethane
Synonyms
- 4-01-00-00147 (Beilstein Handbook Reference)
- BRN 1736845
- Caswell No. 639B
- CCRIS 494
- EINECS 200-925-1
- EPA Pesticide Chemical Code 598300
- Ethane pentachloride
- Ethane, pentachloro-
- HSDB 2034
- NCI-C53894
- Pentachloorethaan
- Pentachloorethaan [Dutch]
- Pentachloraethan
- Pentachloraethan [German]
- Pentachlorethane
- Pentachlorethane [French]
- Pentachloroethane
- Pentacloroetano
- Pentacloroetano [Italian]
- Pentalin
- RCRA waste number U184
- UNII-QOJ9TH7LDL
Systematic Names
- Ethane, 1,1,1,2,2-pentachloro-
- Ethane, pentachloro-
- Pentachloroethane
Superlist Names
- Ethane, pentachloro-
- Pentachloroethane
- Pentachloroethane [UN1669] [Poison]
- Pentalin
- RCRA waste no. U184
- UN1669
Registry Numbers
CAS Registry Number
- 76-01-7
FDA UNII
- QOJ9TH7LDL
System Generated Number
- 0000076017
Structure Descriptors
InChI
1S/C2HCl5/c3-1(4)2(5,6)7/h1HInChIKey
BNIXVQGCZULYKV-UHFFFAOYSA-NSmiles
C(C(Cl)Toxicity
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| dog | LDLo | intravenous | 100mg/kg (100mg/kg) | Quarterly Journal of Pharmacy & Pharmacology. Vol. 7, Pg. 205, 1934. | |
| dog | LDLo | oral | 500mg/kg (500mg/kg) | LIVER: FATTY LIVER DEGERATION LIVER: "HEPATITIS (HEPATOCELLULAR NECROSIS), ZONAL" BEHAVIORAL: SLEEP | American Journal of Hygiene. Vol. 16, Pg. 325, 1932. |
| mouse | LCLo | inhalation | 35gm/m3/2H (35000mg/m3) | Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 141, Pg. 19, 1929. | |
| rabbit | LDLo | subcutaneous | 700mg/kg (700mg/kg) | Quarterly Journal of Pharmacy & Pharmacology. Vol. 7, Pg. 205, 1934. | |
| rat | LC50 | inhalation | 4238ppm/2H (4238ppm) | "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 97, 1986. | |
| rat | LD50 | oral | 920mg/kg (920mg/kg) | LIVER: OTHER CHANGES BEHAVIORAL: ATAXIA BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) | Science Reports of the Research Institutes, Tohoku University, Series C: Medicine. Vol. 36(1-4), Pg. 10, 1989. |
Physical Properties
| Physical Property | Value | Units | Temp (deg C) | Source |
|---|---|---|---|---|
| Melting Point | -2.90E+01 | deg C | EXP | |
| Boiling Point | 159.8 | deg C | EXP | |
| log P (octanol-water) | 3.22 | (none) | EXP | |
| Water Solubility | 480 | mg/L | 25 | EXP |
| Vapor Pressure | 3.5 | mm Hg | 25 | EXP |
| Henry's Law Constant | 1.94E-03 | atm-m3/mole | 25 | EST |
| Atmospheric OH Rate Constant | 1.93E-14 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.