ChemSpider 2D Image | 3-Chloro-1-methyl-4-nitro-1H-pyrazole | C4H4ClN3O2

3-Chloro-1-methyl-4-nitro-1H-pyrazole

  • Molecular FormulaC4H4ClN3O2
  • Average mass161.546 Da
  • Monoisotopic mass160.999207 Da
  • ChemSpider ID26527337

More details:

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

1H-Pyrazole, 3-chloro-1-methyl-4-nitro- [ACD/Index Name]
299930-70-4 [RN]
3-Chlor-1-methyl-4-nitro-1H-pyrazol [German] [ACD/IUPAC Name]
3-Chloro-1-methyl-4-nitro-1H-pyrazole [ACD/IUPAC Name]
3-Chloro-1-méthyl-4-nitro-1H-pyrazole [French] [ACD/IUPAC Name]
3-chloro-1-methyl-4-nitropyrazole
3-chloro-1-methyl-4-nitro-pyrazole
DS-11832
MFCD00463968

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

    Density: 1.7±0.1 g/cm3
    Boiling Point: 272.9±20.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 49.1±3.0 kJ/mol
    Flash Point: 118.9±21.8 °C
    Index of Refraction: 1.648
    Molar Refractivity: 35.5±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 1.13
    ACD/LogD (pH 5.5): 1.15
    ACD/BCF (pH 5.5): 4.38
    ACD/KOC (pH 5.5): 100.24
    ACD/LogD (pH 7.4): 1.15
    ACD/BCF (pH 7.4): 4.38
    ACD/KOC (pH 7.4): 100.24
    Polar Surface Area: 64 Å2
    Polarizability: 14.1±0.5 10-24cm3
    Surface Tension: 62.8±7.0 dyne/cm
    Molar Volume: 97.6±7.0 cm3

    Click to predict properties on the Chemicalize site


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