ChemSpider 2D Image | Methyl [4-cyano-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetate | C8H6F3N3O2

Methyl [4-cyano-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetate

  • Molecular FormulaC8H6F3N3O2
  • Average mass233.147 Da
  • Monoisotopic mass233.041214 Da
  • ChemSpider ID53620993

More details:

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

[4-Cyano-3-(trifluorométhyl)-1H-pyrazol-1-yl]acétate de méthyle [French] [ACD/IUPAC Name]
1H-Pyrazole-1-acetic acid, 4-cyano-3-(trifluoromethyl)-, methyl ester [ACD/Index Name]
Methyl [4-cyano-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetate [ACD/IUPAC Name]
Methyl-[4-cyan-3-(trifluormethyl)-1H-pyrazol-1-yl]acetat [German] [ACD/IUPAC Name]
2097985-24-3 [RN]
methyl 2-(4-cyano-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetate
MFCD30008996

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 322.8±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 56.5±3.0 kJ/mol
    Flash Point: 149.0±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: 1.56
    ACD/LogD (pH 5.5): 0.81
    ACD/BCF (pH 5.5): 2.41
    ACD/KOC (pH 5.5): 65.29
    ACD/LogD (pH 7.4): 0.81
    ACD/BCF (pH 7.4): 2.41
    ACD/KOC (pH 7.4): 65.29
    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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