ChemSpider 2D Image | 3-(chloromethyl)-5-nitro-1H-Pyrazole | C4H4ClN3O2

3-(chloromethyl)-5-nitro-1H-Pyrazole

  • Molecular FormulaC4H4ClN3O2
  • Average mass161.546 Da
  • Monoisotopic mass160.999207 Da
  • ChemSpider ID28602896

More details:

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

1383433-72-4 [RN]
1H-Pyrazole, 5-(chloromethyl)-3-nitro- [ACD/Index Name]
3-(chloromethyl)-5-nitro-1H-Pyrazole
3-(CHLOROMETHYL)-5-NITRO-2H-PYRAZOLE
5-(Chlormethyl)-3-nitro-1H-pyrazol [German] [ACD/IUPAC Name]
5-(Chloromethyl)-3-nitro-1H-pyrazole [ACD/IUPAC Name]
5-(Chlorométhyl)-3-nitro-1H-pyrazole [French] [ACD/IUPAC Name]
5-(chloromethyl)-3-nitropyrazole
AGN-PC-0DA60T
AKOS015920730
More...

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 413.7±30.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 64.1±3.0 kJ/mol
    Flash Point: 204.0±24.6 °C
    Index of Refraction: 1.615
    Molar Refractivity: 35.1±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 0.49
    ACD/LogD (pH 5.5): 0.86
    ACD/BCF (pH 5.5): 2.64
    ACD/KOC (pH 5.5): 69.58
    ACD/LogD (pH 7.4): 0.59
    ACD/BCF (pH 7.4): 1.41
    ACD/KOC (pH 7.4): 37.14
    Polar Surface Area: 75 Å2
    Polarizability: 13.9±0.5 10-24cm3
    Surface Tension: 71.0±3.0 dyne/cm
    Molar Volume: 100.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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