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

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

  • Molecular FormulaC8D6BrN
  • Average mass202.081 Da
  • Monoisotopic mass201.006012 Da
  • ChemSpider ID111329857

  • Non-standard isotope - Non-standard isotope

More details:

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

5-Brom-2-(2H3)methyl(2H3)benzonitril [German] [ACD/IUPAC Name]
5-Bromo-2-(2H3)methyl(2H3)benzonitrile [ACD/IUPAC Name]
5-Bromo-2-(2H3)méthyl(2H3)benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile-2,4,5-d3, 3-bromo-6-(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: 250.6±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 48.8±3.0 kJ/mol
Flash Point: 105.4±21.8 °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: 2.60
ACD/LogD (pH 5.5): 2.84
ACD/BCF (pH 5.5): 84.39
ACD/KOC (pH 5.5): 832.63
ACD/LogD (pH 7.4): 2.84
ACD/BCF (pH 7.4): 84.39
ACD/KOC (pH 7.4): 832.63
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


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