ChemSpider 2D Image | Methyl 1-methyl-4-nitro-1H-pyrazole-3-carboxylate | C6H7N3O4

Methyl 1-methyl-4-nitro-1H-pyrazole-3-carboxylate

  • Molecular FormulaC6H7N3O4
  • Average mass185.137 Da
  • Monoisotopic mass185.043655 Da
  • ChemSpider ID26520677

More details:

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

1H-Pyrazole-3-carboxylic acid, 1-methyl-4-nitro-, methyl ester [ACD/Index Name]
1-Méthyl-4-nitro-1H-pyrazole-3-carboxylate de méthyle [French] [ACD/IUPAC Name]
400877-57-8 [RN]
Methyl 1-methyl-4-nitro-1H-pyrazole-3-carboxylate [ACD/IUPAC Name]
Methyl-1-methyl-4-nitro-1H-pyrazol-3-carboxylat [German] [ACD/IUPAC Name]
1-Methyl-4-nitro-1H-pyrazole-3-carboxylic acid methyl ester
4598-86-1 [RN]
4-nitro-1-methyl-1H-pyrazole-3-carboxylic acid methyl ester
637336-53-9 [RN]

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

  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      White or Off-white Solid Novochemy [NC-44512]
    • Safety:

      20/21/22 Novochemy [NC-44512]
      20/21/36/37/39 Novochemy [NC-44512]
      GHS07; GHS09 Novochemy [NC-44512]
      H332; H403 Novochemy [NC-44512]
      P102; P210; P262; P270; P302+P352; P308+P313 Novochemy [NC-44512]
      R52/314 Novochemy [NC-44512]
      Warning Novochemy [NC-44512]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 306.6±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 54.7±3.0 kJ/mol
Flash Point: 139.2±22.3 °C
Index of Refraction: 1.599
Molar Refractivity: 42.2±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.05
ACD/LogD (pH 5.5): 0.58
ACD/BCF (pH 5.5): 1.63
ACD/KOC (pH 5.5): 49.44
ACD/LogD (pH 7.4): 0.58
ACD/BCF (pH 7.4): 1.63
ACD/KOC (pH 7.4): 49.44
Polar Surface Area: 90 Å2
Polarizability: 16.7±0.5 10-24cm3
Surface Tension: 57.6±7.0 dyne/cm
Molar Volume: 123.5±7.0 cm3

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