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Substance Name: Pentachlorobenzene
RN: 608-93-5
UNII: D62GWO6832
InChIKey: CEOCDNVZRAIOQZ-UHFFFAOYSA-N

Molecular Formula

  • C6-H-Cl5

Molecular Weight

  • 250.339
 

Classification Codes

Classification Codes

  • Drug / Therapeutic Agent
  • Fungicide, Bactericide, Wood Preservative
  • Fungicides, Industrial
  • Insecticides
  • Pesticides
  • Reproductive Effect
  • TSCA Flag S (Substance is Identified in a Proposed or Final SNUR (Significant New Use Rule) under TSCA)
  • TSCA Flag T (Subject to the Section 4 Test Rule under TSCA)
  • Tumor Data

Superlist Classification Codes

  • 2007 CERCLA Priority List, Rank: 155
  • 2011 CERCLA Priority List, Rank: 77
  • Reportable Quantity (RQ) = 10 lb

Names and Synonyms

Name of Substance

  • Pentachlorobenzene

Synonyms

  • 1,2,3,4,5-Pentachlorobenzene
  • 4-05-00-00669 (Beilstein Handbook Reference)
  • Benzene, pentachloro-
  • BRN 1911550
  • CCRIS 5927
  • EINECS 210-172-0
  • HSDB 2863
  • NSC 1857
  • PCB
  • Pentachlorobenzene
  • QCB
  • RCRA waste number U183
  • UNII-D62GWO6832

Systematic Names

  • Benzene, 1,2,3,4,5-pentachloro-
  • Benzene, pentachloro-
  • Pentachlorobenzene

Superlist Names

  • Benzene, pentachloro-
  • Pentachlorobenzene
  • RCRA waste no. U183

Registry Numbers

CAS Registry Number

  • 608-93-5

FDA UNII

  • D62GWO6832

System Generated Number

  • 0000608935

Structure Descriptors

InChI

1S/C6HCl5/c7-2-1-3(8)5(10)6(11)4(2)9/h1H

InChIKey

CEOCDNVZRAIOQZ-UHFFFAOYSA-N

Smiles

c1(c(c(cc(c1Cl)Cl)Cl)Cl)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1175mg/kg (1175mg/kg) BEHAVIORAL: TREMOR

BEHAVIORAL: GENERAL ANESTHETIC
Journal of Environmental Pathology and Toxicology. Vol. 4(5-6), Pg. 183, 1980.
rat LD50 oral 1080mg/kg (1080mg/kg) BEHAVIORAL: GENERAL ANESTHETIC

BEHAVIORAL: TREMOR
Journal of Environmental Pathology and Toxicology. Vol. 4(5-6), Pg. 183, 1980.
rat LD50 skin > 2500mg/kg (2500mg/kg)   Journal of Environmental Pathology and Toxicology. Vol. 4(5-6), Pg. 183, 1980.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 86 deg C   EXP
Boiling Point 277 deg C   EXP
log P (octanol-water) 5.17 (none)   EXP
Water Solubility 0.831 mg/L 25 EXP
Henry's Law Constant 7.03E-04 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 5.79E-14 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.