Chemical Properties of Benzonitrile, 3-(bromomethyl)- (CAS 28188-41-2)

Benzonitrile, 3-(bromomethyl)-

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InChI
InChI=1S/C8H6BrN/c9-5-7-2-1-3-8(4-7)6-10/h1-4H,5H2
InChI Key
CVKOOKPNCVYHNY-UHFFFAOYSA-N
Formula
C8H6BrN
SMILES
N#Cc1cccc(CBr)c1
Molecular Weight1
196.04
CAS
28188-41-2
Other Names
  • 3-(Bromomethyl)benzonitrile
  • 3-Cyanobenzyl bromide
  • m-(Bromomethyl)benzonitrile
  • m-Cyano-«alpha»-bromotoluene
  • m-Cyanobenzyl bromide
  • m-Tolunitrile, «alpha»-bromo-
  • «alpha»-Bromo-m-tolunitrile
  • «alpha»-bromo-m-toluonitrile
Sources

Physical Properties

Property Value Unit Source
Δf 266.76 kJ/mol Joback Calculated Property
Δfgas 207.82 kJ/mol Joback Calculated Property
Δfus 16.92 kJ/mol Joback Calculated Property
Δvap 53.25 kJ/mol Joback Calculated Property
logPoct/wat 2.45 Crippen Calculated Property
Pc 3782.33 kPa Joback Calculated Property
Tboil 582.34 K Joback Calculated Property
Tc 829.92 K Joback Calculated Property
Tfus 343.65 K Joback Calculated Property
Vc 0.46 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 230.81 J/mol×K 582.34 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 2
-CH2- 1
-CN 1
-Br 1
=CH- (ring) 4

Similar Compounds

1-Bromomethyl-3-methylbenzene. Alpha-bromomesitylene. Benzene, 1,3-bis(bromomethyl)-. Benzonitrile, 3-methyl-. 3-Cyanobenzyl radical. benzene, 1,3,5-tris(bromomethyl)-. Benzonitrile, 3,5-dimethyl-. 1,3-Benzenedicarbonitrile. 5-Methylisophthalonitrile. 3,4-Dimethylbenzoic acid nitrile. .ALPHA.-bromo-p-tolunitrile. 2,5-Dimethylbenzonitrile. 3-Cyanobenzaldehyde. Benzonitrile, 2,3-dimethyl-. 1,2,4,5-Tetracyanobenzene.

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