ChemSpider 2D Image | 3-[Bromo(~2~H_2_)methyl](~2~H_4_)benzonitrile | C8D6BrN

3-[Bromo(2H2)methyl](2H4)benzonitrile

  • Molecular FormulaC8D6BrN
  • Average mass202.081 Da
  • Monoisotopic mass201.006012 Da
  • ChemSpider ID24532360

  • Non-standard isotope - Non-standard isotope

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1219802-21-7 [RN]
3-[Brom(2H2)methyl](2H4)benzonitril [German] [ACD/IUPAC Name]
3-[Bromo(2H2)methyl](2H4)benzonitrile [ACD/IUPAC Name]
3-[Bromo(2H2)méthyl](2H4)benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile-2,3,4,6-d4, 5-(bromomethyl-d2)- [ACD/Index Name]
3-Cyanobenzyl-d6 Bromide
α-bromo-m-tolunitrile

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 271.5±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 51.0±3.0 kJ/mol
Flash Point: 118.0±20.4 °C
Index of Refraction: 1.588
Molar Refractivity: 43.7±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.36
ACD/LogD (pH 5.5): 2.50
ACD/BCF (pH 5.5): 46.82
ACD/KOC (pH 5.5): 546.17
ACD/LogD (pH 7.4): 2.50
ACD/BCF (pH 7.4): 46.82
ACD/KOC (pH 7.4): 546.17
Polar Surface Area: 24 Å2
Polarizability: 17.3±0.5 10-24cm3
Surface Tension: 49.6±5.0 dyne/cm
Molar Volume: 129.7±5.0 cm3

Click to predict properties on the Chemicalize site


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