chempirical

2-Cyanobenzyl bromide

C8H6BrNCAS 22115-41-9196.05 g/mol

Open in Covalent MOL file
NBr
HalogenNitrile

Properties

Molecular formula
C8H6BrN
Molar mass
196.05 g/mol
Exact mass
194.9684 Da
Density
1.71 g/mL
Melting point
70–71 °C
Boiling point
140–150 °C (at 5 Torr)
logP
2.45Crippen estimate
Polar surface area
23.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
22115-41-9
SMILES
N#Cc1ccccc1CBr
InChIKey
QGXNHCXKWFNKCG-UHFFFAOYSA-N
InChI
InChI=1S/C8H6BrN/c9-5-7-3-1-2-4-8(7)6-10/h1-4H,5H2

Weigh it out

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

Names and synonyms

12 names
  • Benzonitrile, 2-(bromomethyl)-
  • o-Tolunitrile, α-bromo-
  • 2-(Bromomethyl)benzonitrile
  • o-Cyanobenzyl bromide
  • α-Bromo-o-toluonitrile
  • o-(Bromomethyl)benzonitrile
  • α-Bromo-o-tolunitrile
  • α-Bromo-2-cyanotoluene
  • 1-(Bromomethyl)-2-cyanobenzene
  • 2-Cyano-α-bromotoluene
  • (2-Cyanophenyl)methyl bromide
  • 2-Nitrilebenzyl bromide

Work with 2-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 3-Cyanobenzyl bromide28188-41-2 (3-Bromophenyl)acetonitrile31938-07-5 6-Bromoindole52415-29-9

Elsewhere

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