chempirical

Pentabromophenol

C6HBr5OCAS 608-71-9488.59 g/mol

Open in Covalent MOL file
HOBrBrBrBrBr
Aryl halidePhenol

Properties

Molecular formula
C6HBr5O
Molar mass
488.59 g/mol
Exact mass
483.5944 Da
Melting point
229.5 °C
logP
5.20Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
608-71-9
SMILES
Oc1c(Br)c(Br)c(Br)c(Br)c1Br
InChIKey
SVHOVVJFOWGYJO-UHFFFAOYSA-N
InChI
InChI=1S/C6HBr5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names
  • Phenol, 2,3,4,5,6-pentabromo-
  • Phenol, pentabromo-
  • 2,3,4,5,6-Pentabromophenol
  • Flammex 5BP
  • Bromophenasic acid
  • NSC 5717
  • Perbromophenol

Work with Pentabromophenol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,3,5,6-Tetrabromo-1,4-benzenediol2641-89-692 % similar 2,3,5,6-Tetrabromo-4-methylphenol37721-75-861 % similar 3,4,5,6-Tetrabromo-O-cresol576-55-658 % similar 2,4,6-Tribromoresorcinol2437-49-245 % similar 2,6-Dibromophenol608-33-335 % similar 4-Bromo-3,5-difluorophenol130191-91-235 % similar 2,4,6-Tribromo-3-methylphenol4619-74-335 % similar Decabromodiphenyl ether1163-19-533 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook