ChemSpider 2D Image | 3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)benzonitrile | C12H8F3N3

3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)benzonitrile

  • Molecular FormulaC12H8F3N3
  • Average mass251.207 Da
  • Monoisotopic mass251.067032 Da
  • ChemSpider ID28560768

More details:

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

3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluormethyl)benzonitril [German] [ACD/IUPAC Name]
3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)benzonitrile [ACD/IUPAC Name]
3-(4-Méthyl-1H-imidazol-1-yl)-5-(trifluorométhyl)benzonitrile [French] [ACD/IUPAC Name]
641571-12-2 [RN]
Benzonitrile, 3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)- [ACD/Index Name]
-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)benzonitrile
179524-62-0 [RN]
3-(4-METHYLIMIDAZOL-1-YL)-5-(TRIFLUOROMETHYL)BENZONITRILE
BENZONITRILE,3-(4-METHYL-1H-IMIDAZOL-1-YL)-5-(TRIFLUOROMETHYL)-
MFCD10000967

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 361.3±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 60.7±3.0 kJ/mol
    Flash Point: 172.3±27.9 °C
    Index of Refraction: 1.547
    Molar Refractivity: 61.6±0.5 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.78
    ACD/LogD (pH 5.5): 2.41
    ACD/BCF (pH 5.5): 34.45
    ACD/KOC (pH 5.5): 369.14
    ACD/LogD (pH 7.4): 2.67
    ACD/BCF (pH 7.4): 62.47
    ACD/KOC (pH 7.4): 669.34
    Polar Surface Area: 42 Å2
    Polarizability: 24.4±0.5 10-24cm3
    Surface Tension: 36.3±7.0 dyne/cm
    Molar Volume: 194.3±7.0 cm3

    Click to predict properties on the Chemicalize site


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