ChemSpider 2D Image | Methyl 1-(cyanomethyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxylate | C8H6F3N3O2

Methyl 1-(cyanomethyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxylate

  • Molecular FormulaC8H6F3N3O2
  • Average mass233.147 Da
  • Monoisotopic mass233.041214 Da
  • ChemSpider ID53618060

More details:

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

1-(Cyanométhyl)-3-(trifluorométhyl)-1H-pyrazole-5-carboxylate de méthyle [French] [ACD/IUPAC Name]
1H-Pyrazole-5-carboxylic acid, 1-(cyanomethyl)-3-(trifluoromethyl)-, methyl ester [ACD/Index Name]
Methyl 1-(cyanomethyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxylate [ACD/IUPAC Name]
Methyl-1-(cyanmethyl)-3-(trifluormethyl)-1H-pyrazol-5-carboxylat [German] [ACD/IUPAC Name]
2098101-28-9 [RN]
MFCD30005742

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 324.9±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 56.7±3.0 kJ/mol
    Flash Point: 150.3±27.9 °C
    Index of Refraction: 1.503
    Molar Refractivity: 48.0±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 0.88
    ACD/LogD (pH 5.5): 0.73
    ACD/BCF (pH 5.5): 2.10
    ACD/KOC (pH 5.5): 59.26
    ACD/LogD (pH 7.4): 0.73
    ACD/BCF (pH 7.4): 2.10
    ACD/KOC (pH 7.4): 59.26
    Polar Surface Area: 68 Å2
    Polarizability: 19.0±0.5 10-24cm3
    Surface Tension: 37.8±7.0 dyne/cm
    Molar Volume: 162.2±7.0 cm3

    Click to predict properties on the Chemicalize site


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