ChemSpider 2D Image | (2S)-2-(2-Bromophenyl)propanenitrile | C9H8BrN

(2S)-2-(2-Bromophenyl)propanenitrile

  • Molecular FormulaC9H8BrN
  • Average mass210.070 Da
  • Monoisotopic mass208.984009 Da
  • ChemSpider ID113058922

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-(2-Bromophenyl)propanenitrile [ACD/IUPAC Name]
(2S)-2-(2-Bromophényl)propanenitrile [French] [ACD/IUPAC Name]
(2S)-2-(2-Bromphenyl)propannitril [German] [ACD/IUPAC Name]
Benzeneacetonitrile, 2-bromo-α-methyl-, (αS)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 282.5±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 52.1±3.0 kJ/mol
Flash Point: 124.7±20.4 °C
Index of Refraction: 1.558
Molar Refractivity: 48.0±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.57
ACD/LogD (pH 5.5): 2.98
ACD/BCF (pH 5.5): 107.52
ACD/KOC (pH 5.5): 990.26
ACD/LogD (pH 7.4): 2.98
ACD/BCF (pH 7.4): 107.52
ACD/KOC (pH 7.4): 990.26
Polar Surface Area: 24 Å2
Polarizability: 19.0±0.5 10-24cm3
Surface Tension: 42.7±3.0 dyne/cm
Molar Volume: 149.1±3.0 cm3

Click to predict properties on the Chemicalize site


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