ChemSpider 2D Image | 2-Methyl-2-propanyl 3-nitro-1H-pyrazole-1-carboxylate | C8H11N3O4

2-Methyl-2-propanyl 3-nitro-1H-pyrazole-1-carboxylate

  • Molecular FormulaC8H11N3O4
  • Average mass213.191 Da
  • Monoisotopic mass213.074951 Da
  • ChemSpider ID28535206

More details:

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

1H-Pyrazole-1-carboxylic acid, 3-nitro-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 3-nitro-1H-pyrazole-1-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-nitro-1H-pyrazol-1-carboxylat [German] [ACD/IUPAC Name]
3-Nitro-1H-pyrazole-1-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1253789-61-5 [RN]
1253792-38-9 [RN]
2-Ethyl-4-(methylsulfonyl)aniline [ACD/IUPAC Name]

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

  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      Not Available Novochemy [NC-42065]
    • Safety:

      20/21/22 Novochemy [NC-42065]
      20/21/36/37/39 Novochemy [NC-42065]
      GHS07; GHS09 Novochemy [NC-42065]
      H332; H403 Novochemy [NC-42065]
      P102; P210; P262; P270; P302+P352; P308+P313 Novochemy [NC-42065]
      R52/1364 Novochemy [NC-42065]
      Warning Novochemy [NC-42065]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 319.5±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.1±3.0 kJ/mol
Flash Point: 147.0±25.7 °C
Index of Refraction: 1.559
Molar Refractivity: 51.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.39
ACD/LogD (pH 5.5): 0.93
ACD/BCF (pH 5.5): 3.00
ACD/KOC (pH 5.5): 76.34
ACD/LogD (pH 7.4): 0.93
ACD/BCF (pH 7.4): 3.00
ACD/KOC (pH 7.4): 76.34
Polar Surface Area: 90 Å2
Polarizability: 20.5±0.5 10-24cm3
Surface Tension: 49.4±7.0 dyne/cm
Molar Volume: 160.3±7.0 cm3

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