chempirical

4-Cyanobenzyl bromide

C8H6BrNCAS 17201-43-3196.05 g/mol

Open in Covalent MOL file
NBr
HalogenNitrile

Properties

Molecular formula
C8H6BrN
Molar mass
196.05 g/mol
Exact mass
194.9684 Da
Melting point
113–115 °C
Boiling point
135–137 °C (at 0.6 Torr)
logP
2.45Crippen estimate
Polar surface area
23.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
17201-43-3
SMILES
N#Cc1ccc(CBr)cc1
InChIKey
UMLFTCYAQPPZER-UHFFFAOYSA-N
InChI
InChI=1S/C8H6BrN/c9-5-7-1-3-8(6-10)4-2-7/h1-4H,5H2

Weigh it out

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

Names and synonyms

12 names
  • Benzonitrile, 4-(bromomethyl)-
  • p-Tolunitrile, α-bromo-
  • 4-(Bromomethyl)benzonitrile
  • p-Cyanobenzyl bromide
  • p-(Bromomethyl)benzonitrile
  • α-Bromo-p-tolunitrile
  • (p-Cyanophenyl)bromomethane
  • α-Bromo-p-tolylnitrile
  • α-Bromo-p-toluenecarbonitrile
  • (4-Cyanophenyl)methyl bromide
  • NSC 95792
  • 1-Bromomethyl-4-cyanobenzene

Work with 4-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 (2-Bromophenyl)acetonitrile19472-74-3 2-Cyanobenzyl bromide22115-41-9 3-Cyanobenzyl bromide28188-41-2 (3-Bromophenyl)acetonitrile31938-07-5 6-Bromoindole52415-29-9

Elsewhere

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