chempirical

2,2′-Dibromobiphenyl

C12H8Br2CAS 13029-09-9312.00 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
81 °C
logP
4.88Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Identifiers

CAS number
13029-09-9
SMILES
Brc1ccccc1-c1ccccc1Br
InChIKey
DRKHIWKXLZCAKP-UHFFFAOYSA-N
InChI
InChI=1S/C12H8Br2/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1-8H

Weigh it out

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

Names and synonyms

8 names
  • 1,1′-Biphenyl, 2,2′-dibromo-
  • Biphenyl, 2,2′-dibromo-
  • 2,2′-Dibromo-1,1′-biphenyl
  • o,o′-Dibromobiphenyl
  • 2,2′-Dibromodiphenyl
  • NSC 91566
  • PBB 4
  • 1-Bromo-2-(2-bromophenyl)benzene

Work with 2,2′-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Bromobiphenyl2052-07-567 % similar 1,2-Dibromobenzene583-53-964 % similar 2-(2-Bromophenyl)pyridine109306-86-752 % similar 2-Bromo-4′-chloro-1,1′-biphenyl179526-95-552 % similar 1,4-Dibromonaphthalene83-53-450 % similar 2,3-Dibromonaphthalene13214-70-547 % similar 5-(2-Bromophenyl)-2H-tetrazole73096-42-146 % similar 1-Bromo-2-fluorobenzene1072-85-145 % similar

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

Same formula

3,5-Dibromobiphenyl16372-96-6 4,4′-Dibromobiphenyl92-86-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook