Chemical Properties of .ALPHA.-bromo-p-tolunitrile (CAS 17201-43-3)

.ALPHA.-bromo-p-tolunitrile

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InChI
InChI=1S/C8H6BrN/c9-5-7-1-3-8(6-10)4-2-7/h1-4H,5H2
InChI Key
UMLFTCYAQPPZER-UHFFFAOYSA-N
Formula
C8H6BrN
SMILES
N#Cc1ccc(CBr)cc1
Molecular Weight1
196.04
CAS
17201-43-3
Other Names
  • 4-(Bromomethyl)benzonitrile
  • 4-Cyanobenzyl bromide
  • Benzonitrile, 4-(bromomethyl)-
  • Benzonitrile, p-(bromomethyl)-
  • NSC 95792
  • p-(Bromomethyl)benzonitrile
  • p-Cyanobenzyl bromide
  • p-Tolunitrile, «alpha»-bromo-
  • p-Toluonitrile, «alpha»-bromo-
  • «alpha»-bromo-p-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-4-methylbenzene. 4-Cyanobenzyl radical. Benzonitrile, 4-methyl-. Benzene, 1,4-bis(bromomethyl)-. 1,4-Benzenedicarbonitrile. Benzonitrile, 3-(bromomethyl)-. Benzene, (bromomethyl)-. Benzonitrile. 1,4-Dicyanobenzene di-N-oxide. Benzonitrile, 4-formyl-. Benzonitrile, 4-ethenyl-. 4-(CH2Cl)-C6H4-CN. Benzene, (dibromomethyl)-. 3,4-Dimethylbenzoic acid nitrile. 2,4-Dimethylbenzonitrile.

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