4'-(Bromomethyl)-2-cyanobiphenyl

C₁₄H₁₀BrNCAS 114772-54-2272.14 g/mol

Open in Covalent MOL file

Alkyl halide Nitrile

Properties

Molecular formula: C₁₄H₁₀BrN
Molar mass: 272.14 g/mol
Exact mass: 270.9997 Da
Melting point: 120–122 °C
logP: 4.12Crippen estimate
Polar surface area: 23.8 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Hazards

Warning

H317 May cause an allergic skin reaction97.6% of notifiers
H400 Very toxic to aquatic life90.5% of notifiers
H410 Very toxic to aquatic life with long lasting effects92.9% of notifiers

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, P501

Identifiers

CAS number

114772-54-2

SMILES

N#Cc1ccccc1-c1ccc(CBr)cc1

InChIKey

LFFIEVAMVPCZNA-UHFFFAOYSA-N

InChI

InChI=1S/C14H10BrN/c15-9-11-5-7-12(8-6-11)14-4-2-1-3-13(14)10-16/h1-8H,9H2

Weigh it out

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

Names and synonyms

13 names · show all

4-(Bromomethyl)-2′-cyanobiphenyl
[1,1′-Biphenyl]-2-carbonitrile, 4′-(bromomethyl)-
4′-(Bromomethyl)[1,1′-biphenyl]-2-carbonitrile
4′-(Bromomethyl)-2-cyanobiphenyl
2-Cyano-4′-(bromomethyl)biphenyl
4-(2-Cyanophenyl)benzyl bromide
4′-Bromomethylbiphenyl-2-carbonitrile
2-(4-Bromomethylphenyl)benzonitrile
2′-(Cyano)biphenyl-4-ylmethyl bromide
4-Bromomethyl-2′-cyano-1,1′-biphenyl
2′-Cyano-4-(bromomethyl)-1,1′-biphenyl
2-(4′-Bromomethylphenyl)benzonitrile
4′-Bromomethyl-2-cyano-1,1′-biphenyl

Work with 4'-(Bromomethyl)-2-cyanobiphenyl

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-Cyanobiphenyl24973-49-760 % similar 2-Cyano-4'-methylbiphenyl114772-53-156 % similar 4-Cyanobenzyl bromide17201-43-353 % similar 4-Bromomethylbiphenyl2567-29-552 % similar 2-Cyanobenzyl bromide22115-41-952 % similar 2-(Bromomethyl)-3-chlorobenzonitrile77533-18-745 % similar 1,3,5-Tris[4-(bromomethyl)phenyl]benzene42837-44-544 % similar Benzyl bromide100-39-043 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

9-Bromomethylacridine1556-34-9

Elsewhere

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