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Substance Name: Pentabromobenzene
RN: 608-90-2
UNII: 2P192EN4HP
InChIKey: LLVVSBBXENOOQY-UHFFFAOYSA-N

Molecular Formula

  • C6-H-Br5

Molecular Weight

  • 472.594
 
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Names and Synonyms

Name of Substance

  • Pentabromobenzene

Synonyms

  • Pentabromobenzene
  • UNII-2P192EN4HP

Systematic Name

  • Benzene, pentabromo-

Registry Numbers

CAS Registry Number

  • 608-90-2

FDA UNII

  • 2P192EN4HP

System Generated Number

  • 0000608902

Structure Descriptors

InChI

1S/C6HBr5/c7-2-1-3(8)5(10)6(11)4(2)9/h1H

InChIKey

LLVVSBBXENOOQY-UHFFFAOYSA-N

Smiles

c1(c(c(cc(c1Br)Br)Br)Br)Br

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 160.5 deg C   EXP
log P (octanol-water) 6.440 (none)   EST
Water Solubility 3.37E-03 mg/L 25 EST
Vapor Pressure 2.63E-05 mm Hg 25 EST
Henry's Law Constant 5.41E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.00E-14 cm3/molecule-sec 25 EST

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