ChemSpider 2D Image | 3,5-Dimethyl-1-(~2~H_3_)methyl-4-nitro-1H-pyrazole | C6H6D3N3O2

3,5-Dimethyl-1-(2H3)methyl-4-nitro-1H-pyrazole

  • Molecular FormulaC6H6D3N3O2
  • Average mass158.173 Da
  • Monoisotopic mass158.088303 Da
  • ChemSpider ID24222233

  • Non-standard isotope - Non-standard isotope

More details:

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

1H-Pyrazole, 3,5-dimethyl-1-(methyl-d3)-4-nitro- [ACD/Index Name]
3,5-Dimethyl-1-(2H3)methyl-4-nitro-1H-pyrazol [German] [ACD/IUPAC Name]
3,5-Dimethyl-1-(2H3)methyl-4-nitro-1H-pyrazole [ACD/IUPAC Name]
3,5-Diméthyl-1-(2H3)méthyl-4-nitro-1H-pyrazole [French] [ACD/IUPAC Name]
64678-72-4 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 245.9±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 46.3±3.0 kJ/mol
Flash Point: 102.5±25.9 °C
Index of Refraction: 1.584
Molar Refractivity: 39.8±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.36
ACD/LogD (pH 5.5): 1.36
ACD/BCF (pH 5.5): 6.35
ACD/KOC (pH 5.5): 130.68
ACD/LogD (pH 7.4): 1.36
ACD/BCF (pH 7.4): 6.35
ACD/KOC (pH 7.4): 130.68
Polar Surface Area: 64 Å2
Polarizability: 15.8±0.5 10-24cm3
Surface Tension: 45.2±7.0 dyne/cm
Molar Volume: 118.8±7.0 cm3

Click to predict properties on the Chemicalize site


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