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Substance Name: Pentabromophenol
RN: 608-71-9
UNII: V89A88NMMX
InChIKey: SVHOVVJFOWGYJO-UHFFFAOYSA-N

Note

  • Testing required upon production or importation

Classification Code

  • TSCA Flag T (Subject to the Final TSCA Section 4 Test Rule)

Molecular Formula

  • C6-H-Br5-O

Molecular Weight

  • 488.593
 
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Names and Synonyms

Name of Substance

  • Pentabromophenol

Synonyms

  • 2,3,4,5,6-Pentabromophenol
  • 3-06-00-00766 (Beilstein Handbook Reference)
  • AI3-01561
  • BRN 1876757
  • CCRIS 4853
  • EINECS 210-167-3
  • Flammex 5BP
  • HSDB 5500
  • NSC 5717
  • Pentabromfenol
  • Pentabromfenol [Czech]
  • Pentabromophenol
  • Phenol, pentabromo-
  • UNII-V89A88NMMX

Systematic Names

  • Pentabromophenol
  • Phenol, 2,3,4,5,6-pentabromo-
  • Phenol, pentabromo-

Superlist Name

  • Pentabromophenol

Registry Numbers

CAS Registry Number

  • 608-71-9

FDA UNII

  • V89A88NMMX

System Generated Number

  • 0000608719

Structure Descriptors

InChI

1S/C6HBr5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H

InChIKey

SVHOVVJFOWGYJO-UHFFFAOYSA-N

Smiles

c1(c(c(c(Br)c(c1Br)Br)Br)Br)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 250mg/kg (250mg/kg)   "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 5, Pg. 288, 1953.
rat LD50 oral 200mg/kg (200mg/kg)   "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 527, 1986.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 229.5 deg C   EXP
pKa Dissociation Constant 4.62 (none)   EXP
log P (octanol-water) 5.960 (none)   EST
Water Solubility 0.026 mg/L 25 EST
Vapor Pressure 3.85E-07 mm Hg 25 EST
Henry's Law Constant 5.63E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.51E-13 cm3/molecule-sec 25 EST

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