3-Cyanobenzyl bromide

C₈H₆BrNCAS 28188-41-2196.05 g/mol

Open in Covalent MOL file

Halogen Nitrile

Properties

Molecular formula: C₈H₆BrN
Molar mass: 196.05 g/mol
Exact mass: 194.9684 Da
Melting point: 93 °C
Boiling point: 130 °C (at 4 Torr)
logP: 2.45Crippen estimate
Polar surface area: 23.8 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Identifiers

CAS number

28188-41-2

SMILES

N#Cc1cccc(CBr)c1

InChIKey

CVKOOKPNCVYHNY-UHFFFAOYSA-N

InChI

InChI=1S/C8H6BrN/c9-5-7-2-1-3-8(4-7)6-10/h1-4H,5H2

Weigh it out

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

Names and synonyms

9 names

Benzonitrile, 3-(bromomethyl)-
m-Tolunitrile, α-bromo-
3-(Bromomethyl)benzonitrile
m-Cyanobenzyl bromide
m-(Bromomethyl)benzonitrile
α-Bromo-m-tolunitrile
m-Cyano-α-bromotoluene
NSC 108298
1-Bromomethyl-3-cyanobenzene

Work with 3-Cyanobenzyl bromide

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

Same formula

5-Bromoindole10075-50-0 5-Bromo-2-methylbenzonitrile156001-51-3 (4-Bromophenyl)acetonitrile16532-79-9 4-Cyanobenzyl bromide17201-43-3 (2-Bromophenyl)acetonitrile19472-74-3 2-Cyanobenzyl bromide22115-41-9 (3-Bromophenyl)acetonitrile31938-07-5 6-Bromoindole52415-29-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook