ChemSpider 2D Image | 2-Bromoisophthalonitrile | C8H3BrN2

2-Bromoisophthalonitrile

  • Molecular FormulaC8H3BrN2
  • Average mass207.027 Da
  • Monoisotopic mass205.947952 Da
  • ChemSpider ID11311598

More details:

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

1,3-Benzenedicarbonitrile, 2-bromo- [ACD/Index Name]
22433-90-5 [RN]
2-Bromisophthalonitril [German] [ACD/IUPAC Name]
2-Bromoisophtalonitrile [French] [ACD/IUPAC Name]
2-Bromoisophthalonitrile [ACD/IUPAC Name]
1-bromo-2,6-dicyanobenzene
2-bromobenzene-1,3-dicarbonitrile
atoms 11 bonds 11
MFCD21604249

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

    Density: 1.7±0.1 g/cm3
    Boiling Point: 322.8±32.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 56.5±3.0 kJ/mol
    Flash Point: 149.0±25.1 °C
    Index of Refraction: 1.626
    Molar Refractivity: 43.6±0.4 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.20
    ACD/LogD (pH 5.5): 1.91
    ACD/BCF (pH 5.5): 16.76
    ACD/KOC (pH 5.5): 261.76
    ACD/LogD (pH 7.4): 1.91
    ACD/BCF (pH 7.4): 16.76
    ACD/KOC (pH 7.4): 261.76
    Polar Surface Area: 48 Å2
    Polarizability: 17.3±0.5 10-24cm3
    Surface Tension: 66.5±5.0 dyne/cm
    Molar Volume: 123.2±5.0 cm3

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