ChemSpider 2D Image | 4-Amino-3-bromo-5-methylbenzonitrile | C8H7BrN2

4-Amino-3-bromo-5-methylbenzonitrile

  • Molecular FormulaC8H7BrN2
  • Average mass211.059 Da
  • Monoisotopic mass209.979248 Da
  • ChemSpider ID21391121

More details:

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

20551579 [Beilstein]
4-Amino-3-brom-5-methylbenzonitril [German] [ACD/IUPAC Name]
4-Amino-3-bromo-5-methylbenzonitrile [ACD/IUPAC Name]
4-Amino-3-bromo-5-méthylbenzonitrile [French] [ACD/IUPAC Name]
99799-46-9 [RN]
Benzonitrile, 4-amino-3-bromo-5-methyl- [ACD/Index Name]
ZR BE F1 DCN [WLN]
4-amino-3-bromo-5-methyl-benzonitrile
FS-6210
MFCD09800839 [MDL number]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 320.8±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.2±3.0 kJ/mol
Flash Point: 147.8±27.9 °C
Index of Refraction: 1.631
Molar Refractivity: 47.3±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.50
ACD/LogD (pH 5.5): 2.31
ACD/BCF (pH 5.5): 33.66
ACD/KOC (pH 5.5): 431.23
ACD/LogD (pH 7.4): 2.31
ACD/BCF (pH 7.4): 33.66
ACD/KOC (pH 7.4): 431.23
Polar Surface Area: 50 Å2
Polarizability: 18.7±0.5 10-24cm3
Surface Tension: 60.7±5.0 dyne/cm
Molar Volume: 132.7±5.0 cm3

Click to predict properties on the Chemicalize site


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