ChemSpider 2D Image | 1-Methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile | C6H4F3N3

1-Methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile

  • Molecular FormulaC6H4F3N3
  • Average mass175.111 Da
  • Monoisotopic mass175.035736 Da
  • ChemSpider ID24792925

More details:

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

1049772-79-3 [RN]
1H-Pyrazole-4-carbonitrile, 1-methyl-3-(trifluoromethyl)- [ACD/Index Name]
1-Methyl-3-(trifluormethyl)-1H-pyrazol-4-carbonitril [German] [ACD/IUPAC Name]
1-Methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile [ACD/IUPAC Name]
1-Méthyl-3-(trifluorométhyl)-1H-pyrazole-4-carbonitrile [French] [ACD/IUPAC Name]
[1049772-79-3] [RN]
1-Methyl-3-(trifluoromethyl)-4-cyano-pyrazole
1-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile
1-Methyl-3-trifluoromethyl-1H-pyrazole-4-carbonitrile
95%
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 244.4±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 48.1±3.0 kJ/mol
    Flash Point: 101.6±25.9 °C
    Index of Refraction: 1.491
    Molar Refractivity: 36.5±0.5 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.46
    ACD/LogD (pH 5.5): 1.04
    ACD/BCF (pH 5.5): 3.63
    ACD/KOC (pH 5.5): 87.66
    ACD/LogD (pH 7.4): 1.04
    ACD/BCF (pH 7.4): 3.63
    ACD/KOC (pH 7.4): 87.66
    Polar Surface Area: 42 Å2
    Polarizability: 14.5±0.5 10-24cm3
    Surface Tension: 32.1±7.0 dyne/cm
    Molar Volume: 126.1±7.0 cm3

    Click to predict properties on the Chemicalize site


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