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Substance Name: 2,3,4,5,6-Pentachlorocyclohexene
RN: 319-94-8
InChIKey: NEQSVCDNMZYCND-UHFFFAOYSA-N

Note

  • An intermediate in gamma-hexachlorocyclohexane degradation by Xanthomonas.

Molecular Formula

  • C6-H5-Cl5

Molecular Weight

  • 254.37
 
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Names and Synonyms

Name of Substance

  • 2,3,4,5,6-Pentachlorocyclohexene

Synonyms

  • 4-05-00-00234 (Beilstein Handbook Reference)
  • BRN 3198503
  • gamma-PCCH
  • gamma-Pentachlorocyclohexene

Systematic Names

  • Cyclohexene, 1,3,4,5,6-pentachloro-, (3-alpha,4-beta,5-beta,6-alpha)- (9CI)
  • Cyclohexene, 1,3,4,5,6-pentachloro-, gamma-

Registry Numbers

CAS Registry Number

  • 319-94-8

System Generated Number

  • 0000319948

Structure Descriptors

InChI

1S/C6H5Cl5/c7-2-1-3(8)5(10)6(11)4(2)9/h2,4,6H,1H2

InChIKey

NEQSVCDNMZYCND-UHFFFAOYSA-N

Smiles

C=1([C@@H]([C@@H]([C@@H](CC1Cl)Cl)Cl)Cl)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 2110mg/kg (2110mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

SKIN AND APPENDAGES (SKIN): HAIR: OTHER
Journal of Environmental Science and Health, Part B: Pesticides, Food Contaminants, and Agricultural Wastes. Vol. 11, Pg. 95, 1976.
mouse LD50 oral 3690mg/kg (3690mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 44(10), Pg. 64, 1979.
rat LD50 oral 2930mg/kg (2930mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 44(10), Pg. 64, 1979.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 3.95 (none)   EXP
Water Solubility 11.5 mg/L 25 EST
Vapor Pressure 5.99E-03 mm Hg 25 EST
Henry's Law Constant 1.30E-03 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.46E-11 cm3/molecule-sec 25 EST

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