ChemSpider 2D Image | 4-(2-Chloroethyl)-3-(trifluoromethyl)-1H-pyrazole | C6H6ClF3N2

4-(2-Chloroethyl)-3-(trifluoromethyl)-1H-pyrazole

  • Molecular FormulaC6H6ClF3N2
  • Average mass198.573 Da
  • Monoisotopic mass198.017166 Da
  • ChemSpider ID21521961

More details:

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

1H-Pyrazole, 4-(2-chloroethyl)-3-(trifluoromethyl)- [ACD/Index Name]
4-(2-Chlorethyl)-3-(trifluormethyl)-1H-pyrazol [German] [ACD/IUPAC Name]
4-(2-Chloroethyl)-3-(trifluoromethyl)-1H-pyrazole [ACD/IUPAC Name]
4-(2-Chloroéthyl)-3-(trifluorométhyl)-1H-pyrazole [French] [ACD/IUPAC Name]
1284226-91-0 [RN]
4-(2-CHLOROETHYL)-3-(TRIFLUOROMETHYL)PYRAZOLE
4-(2-Chloro-ethyl)-3-trifluoromethyl-1H-pyrazole
MFCD08447592

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 260.9±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 47.8±3.0 kJ/mol
    Flash Point: 111.6±25.9 °C
    Index of Refraction: 1.462
    Molar Refractivity: 38.2±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.95
    ACD/LogD (pH 5.5): 2.65
    ACD/BCF (pH 5.5): 60.48
    ACD/KOC (pH 5.5): 656.01
    ACD/LogD (pH 7.4): 2.65
    ACD/BCF (pH 7.4): 60.46
    ACD/KOC (pH 7.4): 655.78
    Polar Surface Area: 29 Å2
    Polarizability: 15.1±0.5 10-24cm3
    Surface Tension: 33.3±3.0 dyne/cm
    Molar Volume: 138.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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