ChemSpider 2D Image | 4-bromo-2-(difluoromethyl)benzonitrile | C8H4BrF2N

4-bromo-2-(difluoromethyl)benzonitrile

  • Molecular FormulaC8H4BrF2N
  • Average mass232.025 Da
  • Monoisotopic mass230.949509 Da
  • ChemSpider ID28294728

More details:

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

4-Brom-2-(difluormethyl)benzonitril [German] [ACD/IUPAC Name]
4-Bromo-2-(difluorométhyl)benzonitrile [French] [ACD/IUPAC Name]
1261760-22-8 [RN]
4-Bromo-2-(difluoromethyl)benzonitrile [ACD/IUPAC Name]
Benzonitrile, 4-bromo-2-(difluoromethyl)- [ACD/Index Name]
MFCD18391064

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

    Density: 1.7±0.1 g/cm3
    Boiling Point: 288.2±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 52.7±3.0 kJ/mol
    Flash Point: 128.1±27.3 °C
    Index of Refraction: 1.537
    Molar Refractivity: 43.9±0.4 cm3
    #H bond acceptors: 1
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 2.79
    ACD/LogD (pH 5.5): 3.02
    ACD/BCF (pH 5.5): 117.05
    ACD/KOC (pH 5.5): 1052.35
    ACD/LogD (pH 7.4): 3.02
    ACD/BCF (pH 7.4): 117.05
    ACD/KOC (pH 7.4): 1052.35
    Polar Surface Area: 24 Å2
    Polarizability: 17.4±0.5 10-24cm3
    Surface Tension: 42.5±5.0 dyne/cm
    Molar Volume: 140.4±5.0 cm3

    Click to predict properties on the Chemicalize site


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