chempirical

4,4′-Dibromobiphenyl

C12H8Br2CAS 92-86-4312.00 g/mol

Open in Covalent MOL file
BrBr
Aryl halide

Properties

Molecular formula
C12H8Br2
Molar mass
312.00 g/mol
Exact mass
309.8993 Da
Melting point
164 °C
Boiling point
357.5 °C
logP
4.88Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Identifiers

CAS number
92-86-4
SMILES
Brc1ccc(-c2ccc(Br)cc2)cc1
InChIKey
HQJQYILBCQPYBI-UHFFFAOYSA-N
InChI
InChI=1S/C12H8Br2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H

Weigh it out

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

Names and synonyms

9 names
  • 1,1′-Biphenyl, 4,4′-dibromo-
  • Biphenyl, 4,4′-dibromo-
  • 4,4′-Dibromo-1,1′-biphenyl
  • 4,4′-Dibromodiphenyl
  • p,p′-Dibromobiphenyl
  • PBB 15
  • 4′,4-Dibromobiphenyl
  • NSC 2098
  • 1-Bromo-4-(4-bromophenyl)benzene

Work with 4,4′-Dibromobiphenyl

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

1,4-Dibromobenzene106-37-675 % similar 4-Bromobiphenyl92-66-075 % similar 4-Bromo-4′-hydroxybiphenyl29558-77-871 % similar 4-Bromo-4'-iodobiphenyl105946-82-567 % similar 4-(4-Bromophenyl)pyridine39795-60-367 % similar 4-Bromo-4′-fluoro-1,1′-biphenyl398-21-067 % similar 4-Bromo-5′-phenyl-1,1′:3′,1′′-terphenyl116941-52-763 % similar N-(4-Bromophenyl)-[1,1'-biphenyl]-4-amine1160294-93-855 % similar

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

Same formula

2,2′-Dibromobiphenyl13029-09-9 3,5-Dibromobiphenyl16372-96-6

Elsewhere

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