ChemSpider 2D Image | 3-Hydroxy-4-(trifluoromethyl)benzonitrile | C8H4F3NO

3-Hydroxy-4-(trifluoromethyl)benzonitrile

  • Molecular FormulaC8H4F3NO
  • Average mass187.119 Da
  • Monoisotopic mass187.024506 Da
  • ChemSpider ID28604966

More details:

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

3-Hydroxy-4-(trifluormethyl)benzonitril [German] [ACD/IUPAC Name]
3-Hydroxy-4-(trifluoromethyl)benzonitrile [ACD/IUPAC Name]
3-Hydroxy-4-(trifluorométhyl)benzonitrile [French] [ACD/IUPAC Name]
731002-50-9 [RN]
Benzonitrile, 3-hydroxy-4-(trifluoromethyl)- [ACD/Index Name]
875664-40-7 [RN]
95%
MFCD16999170 [MDL number]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 244.7±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 50.1±3.0 kJ/mol
    Flash Point: 101.8±27.3 °C
    Index of Refraction: 1.496
    Molar Refractivity: 37.8±0.4 cm3
    #H bond acceptors: 2
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 3.29
    ACD/LogD (pH 5.5): 2.77
    ACD/BCF (pH 5.5): 73.44
    ACD/KOC (pH 5.5): 737.46
    ACD/LogD (pH 7.4): 1.94
    ACD/BCF (pH 7.4): 10.82
    ACD/KOC (pH 7.4): 108.68
    Polar Surface Area: 44 Å2
    Polarizability: 15.0±0.5 10-24cm3
    Surface Tension: 42.2±5.0 dyne/cm
    Molar Volume: 129.6±5.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement