ChemSpider 2D Image | 1H-1,2,3-Triazol-4-ylacetonitrile | C4H4N4

1H-1,2,3-Triazol-4-ylacetonitrile

  • Molecular FormulaC4H4N4
  • Average mass108.101 Da
  • Monoisotopic mass108.043594 Da
  • ChemSpider ID21787446

More details:

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

1H-1,2,3-Triazol-4-ylacetonitril [German] [ACD/IUPAC Name]
1H-1,2,3-Triazol-4-ylacetonitrile [ACD/IUPAC Name]
1H-1,2,3-Triazol-4-ylacétonitrile [French] [ACD/IUPAC Name]
1H-1,2,3-Triazole-4-acetonitrile [ACD/Index Name]
(1H-[1,2,3]Triazol-4-yl)-acetonitrile
2-(2H-triazol-4-yl)acetonitrile
412034-60-7 [RN]
MFCD11557251

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 350.4±17.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 59.5±3.0 kJ/mol
    Flash Point: 122.0±6.1 °C
    Index of Refraction: 1.569
    Molar Refractivity: 26.3±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: -0.54
    ACD/LogD (pH 5.5): -0.22
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 18.11
    ACD/LogD (pH 7.4): -0.35
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 13.22
    Polar Surface Area: 65 Å2
    Polarizability: 10.4±0.5 10-24cm3
    Surface Tension: 79.5±3.0 dyne/cm
    Molar Volume: 80.4±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement