ChemSpider 2D Image | 4-(Difluoromethyl)-1H-pyrazole | C4H4F2N2

4-(Difluoromethyl)-1H-pyrazole

  • Molecular FormulaC4H4F2N2
  • Average mass118.085 Da
  • Monoisotopic mass118.034256 Da
  • ChemSpider ID38772744

More details:

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

1H-Pyrazole, 4-(difluoromethyl)- [ACD/Index Name]
4-(Difluormethyl)-1H-pyrazol [German] [ACD/IUPAC Name]
4-(Difluoromethyl)-1H-pyrazole [ACD/IUPAC Name]
4-(Difluorométhyl)-1H-pyrazole [French] [ACD/IUPAC Name]
1211589-69-3 [RN]
95%
MFCD29760982

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 214.5±30.0 °C at 760 mmHg
    Vapour Pressure: 0.2±0.4 mmHg at 25°C
    Enthalpy of Vaporization: 43.2±3.0 kJ/mol
    Flash Point: 83.5±24.6 °C
    Index of Refraction: 1.453
    Molar Refractivity: 24.0±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 0.69
    ACD/LogD (pH 5.5): 1.18
    ACD/BCF (pH 5.5): 4.63
    ACD/KOC (pH 5.5): 104.27
    ACD/LogD (pH 7.4): 1.18
    ACD/BCF (pH 7.4): 4.63
    ACD/KOC (pH 7.4): 104.27
    Polar Surface Area: 29 Å2
    Polarizability: 9.5±0.5 10-24cm3
    Surface Tension: 34.5±3.0 dyne/cm
    Molar Volume: 88.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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