ChemSpider 2D Image | [3-(Trifluoromethyl)-1H-pyrazol-4-yl]acetonitrile | C6H4F3N3

[3-(Trifluoromethyl)-1H-pyrazol-4-yl]acetonitrile

  • Molecular FormulaC6H4F3N3
  • Average mass175.111 Da
  • Monoisotopic mass175.035736 Da
  • ChemSpider ID26471596

More details:

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

[3-(Trifluormethyl)-1H-pyrazol-4-yl]acetonitril [German] [ACD/IUPAC Name]
[3-(Trifluoromethyl)-1H-pyrazol-4-yl]acetonitrile [ACD/IUPAC Name]
[3-(Trifluorométhyl)-1H-pyrazol-4-yl]acétonitrile [French] [ACD/IUPAC Name]
1H-Pyrazole-4-acetonitrile, 3-(trifluoromethyl)- [ACD/Index Name]
1314907-34-0 [RN]
2-(3-(trifluoromethyl)-1H-pyrazol-4-yl)acetonitrile
2-[3-(trifluoromethyl)-1H-pyrazol-4-yl]acetonitrile
MFCD09924205

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 290.4±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 53.0±3.0 kJ/mol
    Flash Point: 129.4±25.9 °C
    Index of Refraction: 1.463
    Molar Refractivity: 33.2±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 0.52
    ACD/LogD (pH 5.5): 0.89
    ACD/BCF (pH 5.5): 2.82
    ACD/KOC (pH 5.5): 73.04
    ACD/LogD (pH 7.4): 0.89
    ACD/BCF (pH 7.4): 2.80
    ACD/KOC (pH 7.4): 72.65
    Polar Surface Area: 52 Å2
    Polarizability: 13.2±0.5 10-24cm3
    Surface Tension: 39.8±3.0 dyne/cm
    Molar Volume: 120.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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