ChemSpider 2D Image | 3,5-Dimethyl-4-nitro-1H-pyrazole-1-acetonitrile | C7H8N4O2

3,5-Dimethyl-4-nitro-1H-pyrazole-1-acetonitrile

  • Molecular FormulaC7H8N4O2
  • Average mass180.164 Da
  • Monoisotopic mass180.064728 Da
  • ChemSpider ID21800436

More details:

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

(3,5-Dimethyl-4-nitro-1H-pyrazol-1-yl)acetonitril [German] [ACD/IUPAC Name]
(3,5-Dimethyl-4-nitro-1H-pyrazol-1-yl)acetonitrile [ACD/IUPAC Name]
(3,5-Diméthyl-4-nitro-1H-pyrazol-1-yl)acétonitrile [French] [ACD/IUPAC Name]
1172831-14-9 [RN]
1H-Pyrazole-1-acetonitrile, 3,5-dimethyl-4-nitro- [ACD/Index Name]
2-(3,5-Dimethyl-4-nitro-1H-pyrazol-1-yl)acetonitrile
2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetonitrile
3,5-Dimethyl-4-nitro-1H-pyrazole-1-acetonitrile
2-(3,5-dimethyl-4-nitropyrazolyl)ethanenitrile

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

MFCD12026949 [DBID]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 336.7±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 58.0±3.0 kJ/mol
    Flash Point: 157.4±27.9 °C
    Index of Refraction: 1.618
    Molar Refractivity: 46.5±0.5 cm3
    #H bond acceptors: 6
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 0.84
    ACD/LogD (pH 5.5): 0.96
    ACD/BCF (pH 5.5): 3.18
    ACD/KOC (pH 5.5): 79.67
    ACD/LogD (pH 7.4): 0.96
    ACD/BCF (pH 7.4): 3.18
    ACD/KOC (pH 7.4): 79.67
    Polar Surface Area: 87 Å2
    Polarizability: 18.4±0.5 10-24cm3
    Surface Tension: 55.0±7.0 dyne/cm
    Molar Volume: 132.6±7.0 cm3

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