ChemSpider 2D Image | [4,5-Dibromo-2-(bromomethyl)phenyl]acetonitrile | C9H6Br3N

[4,5-Dibromo-2-(bromomethyl)phenyl]acetonitrile

  • Molecular FormulaC9H6Br3N
  • Average mass367.863 Da
  • Monoisotopic mass364.805023 Da
  • ChemSpider ID97433640

More details:

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

[4,5-Dibrom-2-(brommethyl)phenyl]acetonitril [German] [ACD/IUPAC Name]
[4,5-Dibromo-2-(bromomethyl)phenyl]acetonitrile [ACD/IUPAC Name]
[4,5-Dibromo-2-(bromométhyl)phényl]acétonitrile [French] [ACD/IUPAC Name]
Benzeneacetonitrile, 4,5-dibromo-2-(bromomethyl)- [ACD/Index Name]

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

Density: 2.1±0.1 g/cm3
Boiling Point: 426.6±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.1±3.0 kJ/mol
Flash Point: 211.8±27.3 °C
Index of Refraction: 1.637
Molar Refractivity: 63.7±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.68
ACD/LogD (pH 5.5): 4.12
ACD/BCF (pH 5.5): 790.28
ACD/KOC (pH 5.5): 4128.89
ACD/LogD (pH 7.4): 4.12
ACD/BCF (pH 7.4): 790.28
ACD/KOC (pH 7.4): 4128.89
Polar Surface Area: 24 Å2
Polarizability: 25.3±0.5 10-24cm3
Surface Tension: 54.4±3.0 dyne/cm
Molar Volume: 177.5±3.0 cm3

Click to predict properties on the Chemicalize site


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