4-Bromo-2-fluoro-1,1′-biphenyl

C₁₂H₈BrFCAS 41604-19-7251.10 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₈BrF
Molar mass: 251.10 g/mol
Exact mass: 249.9793 Da
logP: 4.26Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed85.1% of notifiers
H315 Causes skin irritation83% of notifiers
H319 Causes serious eye irritation83% of notifiers
H400 Very toxic to aquatic life89.4% of notifiers
H410 Very toxic to aquatic life with long lasting effects87.2% of notifiers

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P273, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P391, P501

Identifiers

CAS number

41604-19-7

SMILES

Fc1cc(Br)ccc1-c1ccccc1

InChIKey

HTRNHWBOBYFTQF-UHFFFAOYSA-N

InChI

InChI=1S/C12H8BrF/c13-10-6-7-11(12(14)8-10)9-4-2-1-3-5-9/h1-8H

Weigh it out

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

Names and synonyms

6 names

1,1′-Biphenyl, 4-bromo-2-fluoro-
4-Bromo-2-fluorobiphenyl
2-Fluoro-4-bromobiphenyl
4-Bromo-4-biphenylylacetone
4′-Bromo-2′-fluorobiphenyl
4-Bromo-2-fluoro-1,1'-biphenyl

Work with 4-Bromo-2-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

2,4-Difluoro-1,1'-biphenyl37847-52-260 % similar 2,4-Dibromobiphenyl53592-10-260 % similar 2-Fluorobiphenyl321-60-854 % similar 1-Bromo-3,4-difluorobenzene348-61-854 % similar 2-Fluoro-4-biphenylboronic Acid178305-99-251 % similar 1,4-Dibromo-2-fluorobenzene1435-52-550 % similar 4-Bromo-2-fluorobenzonitrile105942-08-347 % similar 4-Bromo-2-fluoro-1-iodobenzene105931-73-547 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Bromo-4'-fluoro-1,1'-biphenyl398-21-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook