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Substance Name: 2,3,4,5,6-Pentabromoethylbenzene
RN: 85-22-3
UNII: 697LYO57KP
InChIKey: FIAXCDIQXHJNIX-UHFFFAOYSA-N

Classification Code

  • TSCA Flag S (Substance is Identified in a Proposed or Final SNUR (Significant New Use Rule) under TSCA)

Molecular Formula

  • C8-H5-Br5

Molecular Weight

  • 500.647
 
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Names and Synonyms

Name of Substance

  • 2,3,4,5,6-Pentabromoethylbenzene

Synonyms

  • 2,3,4,5,6-Pentabromoethylbenzene
  • 3-05-00-00801 (Beilstein Handbook Reference)
  • BRN 3133073
  • CCRIS 4852
  • EB 80
  • EINECS 201-593-0
  • Pentabromoethylbenzene
  • UNII-697LYO57KP

Systematic Names

  • 2,3,4,5,6-Pentabromoethylbenzene
  • Benzene, 1,2,3,4,5-pentabromo-6-ethyl-
  • Benzene, pentabromoethyl-

Registry Numbers

CAS Registry Number

  • 85-22-3

FDA UNII

  • 697LYO57KP

System Generated Number

  • 0000085223

Structure Descriptors

InChI

1S/C8H5Br5/c1-2-3-4(9)6(11)8(13)7(12)5(3)10/h2H2,1H3

InChIKey

FIAXCDIQXHJNIX-UHFFFAOYSA-N

Smiles

c1(c(c(c(Br)c(c1Br)Br)Br)Br)CC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 8gm/kg (8000mg/kg)   Office of Toxic Substances Report. Vol. OTS0515763,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 138 deg C   EXP
log P (octanol-water) 7.480 (none)   EST
Water Solubility 0.047 mg/L 25 EST
Vapor Pressure 4.69E-06 mm Hg 25 EST
Henry's Law Constant 5.73E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.15E-12 cm3/molecule-sec 25 EST

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