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Substance Name: Chloropentabromocyclohexane
RN: 87-84-3
UNII: 9764W0YF98
InChIKey: UZOSVZSBPTTWIG-UHFFFAOYSA-N

Classification Code

  • Tumor Data

Molecular Formula

  • C6-H6-Br5-Cl

Molecular Weight

  • 513.086
 
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Names and Synonyms

Results Name

  • Chloropentabromocyclohexane

Name of Substance

  • 1,2,3,4,5-Pentabromo-6-chlorocyclohexane

Synonyms

  • 1,2,3,4,5-Pentabromo-6-chlorocyclohexane
  • CCRIS 6086
  • Chloropentabromocyclohexane
  • Cyclohexane, 1,2,3,4,5-pentabromo-6-chloro-
  • Cyclohexane, 1-chloro-2,3,4,5,6-pentabromo-
  • EINECS 201-776-5
  • HSDB 5254
  • Pentabromochlorocyclohexane
  • UNII-9764W0YF98

Systematic Names

  • 1,2,3,4,5-Pentabromo-6-chlorocyclohexane
  • Cyclohexane, 1,2,3,4,5-pentabromo-6-chloro-
  • Pentabromochlorocyclohexane

Registry Numbers

CAS Registry Number

  • 87-84-3

FDA UNII

  • 9764W0YF98

Other Registry Number

  • 25495-99-2

System Generated Number

  • 0000087843

Structure Descriptors

InChI

1S/C6H6Br5Cl/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H

InChIKey

UZOSVZSBPTTWIG-UHFFFAOYSA-N

Smiles

C1([C@@H]([C@@H](C(Br)[C@@H]([C@@H]1Br)Br)Br)Br)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral > 5gm/kg (5000mg/kg)   National Technical Information Service. Vol. OTS0530126,

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 4.72 (none)   EXP
Water Solubility 0.055 mg/L 25 EST
Vapor Pressure 3.46E-06 mm Hg 25 EST
Henry's Law Constant 9.59E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.81E-13 cm3/molecule-sec 25 EST

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