ChemSpider 2D Image | 4-(Bromomethyl)-3-(trifluoromethyl)benzonitrile | C9H5BrF3N

4-(Bromomethyl)-3-(trifluoromethyl)benzonitrile

  • Molecular FormulaC9H5BrF3N
  • Average mass264.042 Da
  • Monoisotopic mass262.955750 Da
  • ChemSpider ID26527438

More details:

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

4-(Brommethyl)-3-(trifluormethyl)benzonitril [German] [ACD/IUPAC Name]
4-(Bromomethyl)-3-(trifluoromethyl)benzonitrile [ACD/IUPAC Name]
4-(Bromométhyl)-3-(trifluorométhyl)benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 4-(bromomethyl)-3-(trifluoromethyl)- [ACD/Index Name]
4-cyano-2-(trifluoromethyl)benzyl bromide
4-Cyano-2-(trifluoromethyl)benzylbromide
853368-32-8 [RN]
MFCD22492235 [MDL number]
PS-9908

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 269.1±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 50.7±3.0 kJ/mol
    Flash Point: 116.5±27.3 °C
    Index of Refraction: 1.513
    Molar Refractivity: 48.7±0.4 cm3
    #H bond acceptors: 1
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 3.26
    ACD/LogD (pH 5.5): 3.36
    ACD/BCF (pH 5.5): 210.92
    ACD/KOC (pH 5.5): 1604.00
    ACD/LogD (pH 7.4): 3.36
    ACD/BCF (pH 7.4): 210.92
    ACD/KOC (pH 7.4): 1604.00
    Polar Surface Area: 24 Å2
    Polarizability: 19.3±0.5 10-24cm3
    Surface Tension: 39.7±5.0 dyne/cm
    Molar Volume: 161.8±5.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement