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Substance Name: 2,3,4,5,6-Pentabromotoluene
RN: 87-83-2
UNII: 87007N97G5
InChIKey: OZHJEQVYCBTHJT-UHFFFAOYSA-N

Molecular Formula

  • C7-H3-Br5

Molecular Weight

  • 486.621
 
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Names and Synonyms

Name of Substance

  • 2,3,4,5,6-Pentabromotoluene

Synonyms

  • 2,3,4,5,6-Pentabromotoluene
  • Benzene, methyl-, pentabromo deriv.
  • Benzene, pentabromomethyl-
  • CCRIS 4854
  • EINECS 201-774-4
  • Flammex 5bt
  • HSDB 5253
  • Pentabromomethylbenzene
  • Pentabromotoluene
  • Toluene, 2,3,4,5,6-pentabromo-
  • UNII-87007N97G5

Systematic Names

  • 2,3,4,5,6-Pentabromotoluene
  • Benzene, 1,2,3,4,5-pentabromo-6-methyl-
  • Benzene, pentabromomethyl-
  • Pentabromotoluene

Registry Numbers

CAS Registry Number

  • 87-83-2

FDA UNII

  • 87007N97G5

Other Registry Number

  • 26101-97-3

System Generated Number

  • 0000087832

Structure Descriptors

InChI

1S/C7H3Br5/c1-2-3(8)5(10)7(12)6(11)4(2)9/h1H3

InChIKey

OZHJEQVYCBTHJT-UHFFFAOYSA-N

Smiles

c1(c(c(c(Br)c(c1Br)Br)Br)Br)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 288 deg C   EXP
log P (octanol-water) 6.990 (none)   EST
Water Solubility 9.35E-04 mg/L 25 EST
Vapor Pressure 1.08E-05 mm Hg 25 EST
Henry's Law Constant 5.97E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.85E-13 cm3/molecule-sec 25 EST

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