ChemSpider 2D Image | (2S)-Bromo(phenyl)acetonitrile | C8H6BrN

(2S)-Bromo(phenyl)acetonitrile

  • Molecular FormulaC8H6BrN
  • Average mass196.044 Da
  • Monoisotopic mass194.968353 Da
  • ChemSpider ID25071602

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-Brom(phenyl)acetonitril [German] [ACD/IUPAC Name]
(2S)-Bromo(phenyl)acetonitrile [ACD/IUPAC Name]
(2S)-Bromo(phényl)acétonitrile [French] [ACD/IUPAC Name]
Benzeneacetonitrile, α-bromo-, (αS)- [ACD/Index Name]
(2S)-2-BROMO-2-PHENYLACETONITRILE
(S)-2-bromo-2-phenylacetonitrile
(S)-α-BROMO-α-PHENYL ACETONITRILE
227-348-8 [EINECS]
2-bromo-2-phenylacetonitrile
5798-79-8 [RN]
More...

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

Density: 1.5±0.1 g/cm3
Boiling Point: 228.0±20.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.5 mmHg at 25°C
Enthalpy of Vaporization: 46.5±3.0 kJ/mol
Flash Point: 91.7±21.8 °C
Index of Refraction: 1.585
Molar Refractivity: 43.5±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.34
ACD/LogD (pH 5.5): 2.71
ACD/BCF (pH 5.5): 67.50
ACD/KOC (pH 5.5): 709.64
ACD/LogD (pH 7.4): 2.71
ACD/BCF (pH 7.4): 67.50
ACD/KOC (pH 7.4): 709.64
Polar Surface Area: 24 Å2
Polarizability: 17.2±0.5 10-24cm3
Surface Tension: 49.1±3.0 dyne/cm
Molar Volume: 129.6±3.0 cm3

Click to predict properties on the Chemicalize site


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