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ChemSpider 2D Image | 4-Bromo-2-(bromomethyl)benzonitrile | C8H5Br2N

4-Bromo-2-(bromomethyl)benzonitrile

  • Molecular FormulaC8H5Br2N
  • Average mass274.940 Da
  • Monoisotopic mass272.878845 Da
  • ChemSpider ID34214809

More details:

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

457051-12-6 [RN]
4-Brom-2-(brommethyl)benzonitril [German] [ACD/IUPAC Name]
4-Bromo-2-(bromomethyl)benzonitrile [ACD/IUPAC Name]
4-Bromo-2-(bromométhyl)benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 4-bromo-2-(bromomethyl)- [ACD/Index Name]
4-bromo-2-(bromomethyl)benzoni
4-bromo-2-bromomethyl-benzonitrile
MFCD18390221

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

    Density: 1.9±0.1 g/cm3
    Boiling Point: 317.0±27.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 55.8±3.0 kJ/mol
    Flash Point: 145.5±23.7 °C
    Index of Refraction: 1.639
    Molar Refractivity: 51.4±0.4 cm3
    #H bond acceptors: 1
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 3.12
    ACD/LogD (pH 5.5): 3.41
    ACD/BCF (pH 5.5): 231.27
    ACD/KOC (pH 5.5): 1713.35
    ACD/LogD (pH 7.4): 3.41
    ACD/BCF (pH 7.4): 231.27
    ACD/KOC (pH 7.4): 1713.35
    Polar Surface Area: 24 Å2
    Polarizability: 20.4±0.5 10-24cm3
    Surface Tension: 58.7±5.0 dyne/cm
    Molar Volume: 142.8±5.0 cm3

    Click to predict properties on the Chemicalize site


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