ChemSpider 2D Image | 2-(Bromomethyl)-5-(trifluoromethyl)benzonitrile | C9H5BrF3N

2-(Bromomethyl)-5-(trifluoromethyl)benzonitrile

  • Molecular FormulaC9H5BrF3N
  • Average mass264.042 Da
  • Monoisotopic mass262.955750 Da
  • ChemSpider ID30648548

More details:

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

2-(Brommethyl)-5-(trifluormethyl)benzonitril [German] [ACD/IUPAC Name]
2-(Bromomethyl)-5-(trifluoromethyl)benzonitrile [ACD/IUPAC Name]
2-(Bromométhyl)-5-(trifluorométhyl)benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 2-(bromomethyl)-5-(trifluoromethyl)- [ACD/Index Name]
1426933-69-8 [RN]
2-cyano-4-(trifluoromethyl)benzyl bromide
MFCD22491924

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 265.9±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 50.4±3.0 kJ/mol
    Flash Point: 114.6±25.9 °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

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