ChemSpider 2D Image | 1-(Cyanomethyl)-1H-pyrazole-4-carbonitrile | C6H4N4

1-(Cyanomethyl)-1H-pyrazole-4-carbonitrile

  • Molecular FormulaC6H4N4
  • Average mass132.123 Da
  • Monoisotopic mass132.043594 Da
  • ChemSpider ID35497884

More details:

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

1-(Cyanmethyl)-1H-pyrazol-4-carbonitril [German] [ACD/IUPAC Name]
1-(Cyanomethyl)-1H-pyrazole-4-carbonitrile [ACD/IUPAC Name]
1-(Cyanométhyl)-1H-pyrazole-4-carbonitrile [French] [ACD/IUPAC Name]
1H-Pyrazole-1-acetonitrile, 4-cyano- [ACD/Index Name]
1-(cyanomethyl)pyrazole-4-carbonitrile
1556131-20-4 [RN]
1-Cyanomethyl-1H-pyrazole-4-carbonitrile
AKOS023777601
MFCD20731388

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 340.0±22.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 58.3±3.0 kJ/mol
    Flash Point: 159.4±22.3 °C
    Index of Refraction: 1.620
    Molar Refractivity: 38.5±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: -0.43
    ACD/LogD (pH 5.5): -0.04
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 22.55
    ACD/LogD (pH 7.4): -0.04
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 22.55
    Polar Surface Area: 65 Å2
    Polarizability: 15.3±0.5 10-24cm3
    Surface Tension: 55.9±7.0 dyne/cm
    Molar Volume: 109.5±7.0 cm3

    Click to predict properties on the Chemicalize site


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