chempirical

4-Bromobiphenyl

C12H9BrCAS 92-66-0233.11 g/mol

Open in Covalent MOL file
Br
Aryl halide

Properties

Molecular formula
C12H9Br
Molar mass
233.11 g/mol
Exact mass
231.9888 Da
Melting point
91.5 °C
Boiling point
310 °C
logP
4.12Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Identifiers

CAS number
92-66-0
SMILES
Brc1ccc(-c2ccccc2)cc1
InChIKey
PKJBWOWQJHHAHG-UHFFFAOYSA-N
InChI
InChI=1S/C12H9Br/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H

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Names and synonyms

18 names · show all
  • 1,1′-Biphenyl, 4-bromo-
  • Biphenyl, 4-bromo-
  • 4-Bromo-1,1′-biphenyl
  • p-Phenylbromobenzene
  • p-Bromobiphenyl
  • 4-Biphenylyl bromide
  • 4-Bromodiphenyl
  • p-Bromodiphenyl
  • p-Biphenylyl bromide
  • (4-Bromophenyl)benzene
  • p-Phenylphenyl bromide
  • 1-Bromo-4-phenylbenzene
  • NSC 406933
  • 4′-Bromobiphenyl
  • 4-Biphenyl bromide
  • PBB 3
  • 4-Phenylbromobenzene
  • p-Bromophenylbenzene

Reactions

Work with 4-Bromobiphenyl

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-Bromo-5′-phenyl-1,1′:3′,1′′-terphenyl116941-52-784 % similar 4,4′-Dibromobiphenyl92-86-475 % similar N-(4-Bromophenyl)-[1,1'-biphenyl]-4-amine1160294-93-873 % similar 2-(4-Bromophenyl)-5-phenylthiophene118621-30-065 % similar Bromobenzene108-86-165 % similar Para-quaterphenyl135-70-663 % similar 1,1′:4′,1′′:4′′,1′′′:4′′′,1′′′′:4′′′′,1′′′′′-Sexiphenyl4499-83-663 % similar Terphenyl92-94-463 % similar

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

Same formula

5-Bromoacenaphthene2051-98-1 2-Bromobiphenyl2052-07-5 3-Bromobiphenyl2113-57-7

Elsewhere

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