ChemSpider 2D Image | 2-Brom-5-methylbenzonitril | C8H6BrN

2-Brom-5-methylbenzonitril

  • Molecular FormulaC8H6BrN
  • Average mass196.044 Da
  • Monoisotopic mass194.968353 Da
  • ChemSpider ID22369604

More details:

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

2-Brom-5-methylbenzonitril
2-Brom-5-methylbenzonitril [German] [ACD/IUPAC Name]
2-Bromo-5-methylbenzonitrile [ACD/IUPAC Name]
2-Bromo-5-méthylbenzonitrile [French] [ACD/IUPAC Name]
42872-83-3 [RN]
Benzonitrile, 2-bromo-5-methyl- [ACD/Index Name]
MFCD11040281 [MDL number]
[42872-83-3] [RN]
2-Bromo-5-methyl benzonitrile
2-Bromo-5-Methylbenzonitrile (en)
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

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


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