ChemSpider 2D Image | 3,4-bis(trifluoromethyl)-1H-pyrazole | C5H2F6N2

3,4-bis(trifluoromethyl)-1H-pyrazole

  • Molecular FormulaC5H2F6N2
  • Average mass204.073 Da
  • Monoisotopic mass204.012222 Da
  • ChemSpider ID13738384

More details:

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

19968-19-5 [RN]
1H-Pyrazole, 4,5-bis(trifluoromethyl)- [ACD/Index Name]
3,4-bis(trifluoromethyl)-1H-pyrazole
4,5-Bis(trifluormethyl)-1H-pyrazol [German] [ACD/IUPAC Name]
4,5-Bis(trifluoromethyl)-1H-pyrazole [ACD/IUPAC Name]
4,5-Bis(trifluorométhyl)-1H-pyrazole [French] [ACD/IUPAC Name]
3,4-Bis(trifluoromethyl)-1H-pyrazole???WS203858???
MFCD22989495

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 180.5±35.0 °C at 760 mmHg
    Vapour Pressure: 1.2±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 40.0±3.0 kJ/mol
    Flash Point: 63.0±25.9 °C
    Index of Refraction: 1.367
    Molar Refractivity: 28.7±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 2.66
    ACD/LogD (pH 5.5): 2.35
    ACD/BCF (pH 5.5): 35.64
    ACD/KOC (pH 5.5): 448.49
    ACD/LogD (pH 7.4): 2.17
    ACD/BCF (pH 7.4): 24.08
    ACD/KOC (pH 7.4): 303.03
    Polar Surface Area: 29 Å2
    Polarizability: 11.4±0.5 10-24cm3
    Surface Tension: 21.4±3.0 dyne/cm
    Molar Volume: 128.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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