ChemSpider 2D Image | 2-Bromo-5-(~2~H_3_)methyl(~2~H_3_)benzonitrile | C8D6BrN

2-Bromo-5-(2H3)methyl(2H3)benzonitrile

  • Molecular FormulaC8D6BrN
  • Average mass202.081 Da
  • Monoisotopic mass201.006012 Da
  • ChemSpider ID111329858

  • Non-standard isotope - Non-standard isotope

More details:

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

2-Brom-5-(2H3)methyl(2H3)benzonitril [German] [ACD/IUPAC Name]
2-Bromo-5-(2H3)methyl(2H3)benzonitrile [ACD/IUPAC Name]
2-Bromo-5-(2H3)méthyl(2H3)benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile-2,4,5-d3, 6-bromo-3-(methyl-d3)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 290.2±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 53.0±3.0 kJ/mol
Flash Point: 129.3±24.0 °C
Index of Refraction: 1.591
Molar Refractivity: 43.7±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.69
ACD/LogD (pH 5.5): 2.86
ACD/BCF (pH 5.5): 87.82
ACD/KOC (pH 5.5): 856.74
ACD/LogD (pH 7.4): 2.86
ACD/BCF (pH 7.4): 87.82
ACD/KOC (pH 7.4): 856.74
Polar Surface Area: 24 Å2
Polarizability: 17.3±0.5 10-24cm3
Surface Tension: 49.2±5.0 dyne/cm
Molar Volume: 129.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement