ChemSpider 2D Image | 4-Phenyl-1H-1,2,3-triazole-5-carbonitrile | C9H6N4

4-Phenyl-1H-1,2,3-triazole-5-carbonitrile

  • Molecular FormulaC9H6N4
  • Average mass170.171 Da
  • Monoisotopic mass170.059250 Da
  • ChemSpider ID14454452

More details:

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

14677-11-3 [RN]
1H-1,2,3-Triazole-4-carbonitrile, 5-phenyl- [ACD/Index Name]
1H-1,2,3-triazole-5-carbonitrile, 4-phenyl-
4-Phenyl-1H-1,2,3-triazol-5-carbonitril [German] [ACD/IUPAC Name]
4-Phenyl-1H-1,2,3-triazole-5-carbonitrile [ACD/IUPAC Name]
4-Phényl-1H-1,2,3-triazole-5-carbonitrile [French] [ACD/IUPAC Name]
5-Phenyl-3H-[1,2,3]triazole-4-carbonitrile
1H-1,2,3-Triazole-5-carbonitrile,4-phenyl-
4-(5-cyano-1 H-[1 ,2,3]triazol-4-yl)phenyl
4-phenyl-5-cyano-1,2,3-triazole
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 451.4±33.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 71.0±3.0 kJ/mol
    Flash Point: 145.1±10.6 °C
    Index of Refraction: 1.644
    Molar Refractivity: 45.5±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.17
    ACD/LogD (pH 5.5): 0.59
    ACD/BCF (pH 5.5): 1.33
    ACD/KOC (pH 5.5): 32.95
    ACD/LogD (pH 7.4): -0.75
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.49
    Polar Surface Area: 65 Å2
    Polarizability: 18.1±0.5 10-24cm3
    Surface Tension: 81.3±5.0 dyne/cm
    Molar Volume: 125.7±5.0 cm3

    Click to predict properties on the Chemicalize site


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