ChemSpider 2D Image | 1-(Chloromethyl)-1H-pyrazole | C4H5ClN2

1-(Chloromethyl)-1H-pyrazole

  • Molecular FormulaC4H5ClN2
  • Average mass116.549 Da
  • Monoisotopic mass116.014130 Da
  • ChemSpider ID24722561

More details:

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

1-(Chlormethyl)-1H-pyrazol [German] [ACD/IUPAC Name]
1-(Chloromethyl)-1H-pyrazole [ACD/IUPAC Name]
1-(Chlorométhyl)-1H-pyrazole [French] [ACD/IUPAC Name]
1H-Pyrazole, 1-(chloromethyl)- [ACD/Index Name]
1-CHLOROMETHYL-1H-PYRAZOLE
1-chloromethylpyrazole
84968-04-7 [RN]
chloromethyl-1h-pyrazole
MFCD08704317

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 179.1±23.0 °C at 760 mmHg
    Vapour Pressure: 1.3±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 39.8±3.0 kJ/mol
    Flash Point: 62.1±22.6 °C
    Index of Refraction: 1.561
    Molar Refractivity: 30.0±0.5 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 0.40
    ACD/LogD (pH 5.5): 0.77
    ACD/BCF (pH 5.5): 2.29
    ACD/KOC (pH 5.5): 62.91
    ACD/LogD (pH 7.4): 0.77
    ACD/BCF (pH 7.4): 2.29
    ACD/KOC (pH 7.4): 62.91
    Polar Surface Area: 18 Å2
    Polarizability: 11.9±0.5 10-24cm3
    Surface Tension: 42.5±7.0 dyne/cm
    Molar Volume: 92.7±7.0 cm3

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