ChemSpider 2D Image | 4-Iodo-3-isopropyl-1-methyl-1H-pyrazole-5-carbonitrile | C8H10IN3

4-Iodo-3-isopropyl-1-methyl-1H-pyrazole-5-carbonitrile

  • Molecular FormulaC8H10IN3
  • Average mass275.090 Da
  • Monoisotopic mass274.991943 Da
  • ChemSpider ID28603048

More details:

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

1354706-64-1 [RN]
1H-Pyrazole-5-carbonitrile, 4-iodo-1-methyl-3-(1-methylethyl)- [ACD/Index Name]
4-Iod-3-isopropyl-1-methyl-1H-pyrazol-5-carbonitril [German] [ACD/IUPAC Name]
4-IODO-1-METHYL-3-(PROPAN-2-YL)-1H-PYRAZOLE-5-CARBONITRILE
4-Iodo-3-isopropyl-1-methyl-1H-pyrazole-5-carbonitrile [ACD/IUPAC Name]
4-Iodo-3-isopropyl-1-méthyl-1H-pyrazole-5-carbonitrile [French] [ACD/IUPAC Name]
1171066-52-6 [RN]
4-iodo-1-methyl-3-(methylethyl)pyrazole-5-carbonitrile
4-iodo-2-methyl-5-propan-2-ylpyrazole-3-carbonitrile
4-Iodo-5-isopropyl-2-methyl-2H-pyrazole-3-carbonitrile
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.7±0.1 g/cm3
    Boiling Point: 323.6±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: 149.5±27.9 °C
    Index of Refraction: 1.643
    Molar Refractivity: 57.9±0.5 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 2.30
    ACD/LogD (pH 5.5): 2.05
    ACD/BCF (pH 5.5): 21.29
    ACD/KOC (pH 5.5): 310.66
    ACD/LogD (pH 7.4): 2.05
    ACD/BCF (pH 7.4): 21.29
    ACD/KOC (pH 7.4): 310.66
    Polar Surface Area: 42 Å2
    Polarizability: 22.9±0.5 10-24cm3
    Surface Tension: 42.9±7.0 dyne/cm
    Molar Volume: 160.1±7.0 cm3

    Click to predict properties on the Chemicalize site


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