2-Bromobiphenyl

C12H9BrCAS 2052-07-5233.11 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
Density
1.2175 g/mL (at 26 °C)
Melting point
1.5 °C
Boiling point
297 °C
Water solubility
insoluble
logP
4.12Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)Environmental Hazard (GHS09)

Aggregated from 32 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number
2052-07-5
SMILES
Brc1ccccc1-c1ccccc1
InChIKey
KTADSLDAUJLZGL-UHFFFAOYSA-N
InChI
InChI=1S/C12H9Br/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H

Weigh it out

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

Names and synonyms

12 names
  • 1,1′-Biphenyl, 2-bromo-
  • Biphenyl, 2-bromo-
  • 2-Bromo-1,1′-biphenyl
  • o-Bromobiphenyl
  • PBB 1
  • 2-Phenylbromobenzene
  • 1-Bromo-2-phenylbenzene
  • 2-Biphenylyl bromide
  • NSC 67353
  • m-Biphenyl bromide
  • 2-Biphenyl bromide
  • o-Biphenyl bromide

Work with 2-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

2''-Bromo-[1,1';4',1'']terphenyl3282-24-489 % similar 2,2'-Dibromobiphenyl13029-09-967 % similar 2-Bromo-4'-chloro-1,1'-biphenyl179526-95-563 % similar O-Terphenyl84-15-161 % similar 1-Bromo-8-phenylnaphthalene1121545-24-160 % similar 2,4-Dibromobiphenyl53592-10-260 % similar 1-Bromo-4-phenylnaphthalene59951-65-456 % similar 1,2-Dibromobenzene583-53-950 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Bromoacenaphthene2051-98-1 3-Bromobiphenyl2113-57-7 4-Bromobiphenyl92-66-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook