4-Bromo-4'-fluoro-1,1'-biphenyl

C12H8BrFCAS 398-21-0251.10 g/mol

Open in Covalent MOL file
FBr
Aryl halide

Properties

Molecular formula
C12H8BrF
Molar mass
251.10 g/mol
Exact mass
249.9793 Da
Melting point
98 °C
logP
4.26Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)Environmental Hazard (GHS09)

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P273, P280, P301+P317, P305+P354+P338, P317, P330, P391, P501

Identifiers

CAS number
398-21-0
SMILES
Fc1ccc(-c2ccc(Br)cc2)cc1
InChIKey
XFGPSHWWPIFPNL-UHFFFAOYSA-N
InChI
InChI=1S/C12H8BrF/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H

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Names and synonyms

8 names
  • 4-Bromo-4′-fluoro-1,1′-biphenyl
  • 1,1′-Biphenyl, 4-bromo-4′-fluoro-
  • Biphenyl, 4-bromo-4′-fluoro-
  • 4-Bromo-4′-fluorobiphenyl
  • 4-Fluoro-4′-bromobiphenyl
  • 4′-Bromo-4-fluorobiphenyl
  • NSC 91565
  • 1-Bromo-4-(4-fluorophenyl)benzene

Work with 4-Bromo-4'-fluoro-1,1'-biphenyl

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

4-Fluorobromobenzene460-00-483 % similar 4,4''-Dibromo-P-terphenyl17788-94-267 % similar 4,4′-Difluorobiphenyl398-23-267 % similar 4,4′-Dibromobiphenyl92-86-467 % similar 1,3,5-Tris(4-bromophenyl)benzene7511-49-157 % similar 4′-Fluoro[1,1′-biphenyl]-4-ol324-94-757 % similar 4-Bromo-P-terphenyl1762-84-155 % similar 4-Fluorobiphenyl324-74-355 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Bromo-2-fluoro-1,1′-biphenyl41604-19-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook