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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
 

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

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/h1H

InChIKey

BNIXVQGCZULYKV-UHFFFAOYSA-N

Smiles

C(C(Cl)Cl)(Cl)(Cl)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.