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

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

  • Molecular FormulaC9H6Br3N
  • Average mass367.863 Da
  • Monoisotopic mass364.805023 Da
  • ChemSpider ID97442185

More details:

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

[2,5-Dibrom-4-(brommethyl)phenyl]acetonitril [German] [ACD/IUPAC Name]
[2,5-Dibromo-4-(bromomethyl)phenyl]acetonitrile [ACD/IUPAC Name]
[2,5-Dibromo-4-(bromométhyl)phényl]acétonitrile [French] [ACD/IUPAC Name]
Benzeneacetonitrile, 2,5-dibromo-4-(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: 417.4±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.1±3.0 kJ/mol
Flash Point: 206.2±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: 3.72
ACD/LogD (pH 5.5): 4.02
ACD/BCF (pH 5.5): 664.87
ACD/KOC (pH 5.5): 3648.53
ACD/LogD (pH 7.4): 4.02
ACD/BCF (pH 7.4): 664.87
ACD/KOC (pH 7.4): 3648.53
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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