ChemSpider 2D Image | Ethyl 4-nitro-1H-imidazole-2-carboxylate | C6H7N3O4

Ethyl 4-nitro-1H-imidazole-2-carboxylate

  • Molecular FormulaC6H7N3O4
  • Average mass185.137 Da
  • Monoisotopic mass185.043655 Da
  • ChemSpider ID26519348

More details:

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

1H-Imidazole-2-carboxylic acid, 5-nitro-, ethyl ester [ACD/Index Name]
4-Nitro-1H-imidazole-2-carboxylate d'éthyle [French] [ACD/IUPAC Name]
865998-46-5 [RN]
Ethyl 4-nitro-1H-imidazole-2-carboxylate [ACD/IUPAC Name]
Ethyl-4-nitro-1H-imidazol-2-carboxylat [German] [ACD/IUPAC Name]
[865998-46-5] [RN]
169770-25-6 [RN]
1H-Imidazole-2-carboxylic acid,5-nitro-,ethyl ester
1H-Imidazole-2-carboxylicacid, 5-nitro-, ethyl ester
2-Iodo-6-methylpyridine [ACD/IUPAC Name]

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

  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      white powder Novochemy [NC-15917]
    • Safety:

      20/21/36/37/39 Novochemy [NC-15917]
      36/37/38 Novochemy [NC-15917]
      GHS07; GHS09 Novochemy [NC-15917]
      H332; H403 Novochemy [NC-15917]
      P332+P313; P305+P351+P338 Novochemy [NC-15917]
      Warning Novochemy [NC-15917]
      Xn Novochemy [NC-15917]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 374.2±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 62.2±3.0 kJ/mol
Flash Point: 180.1±25.7 °C
Index of Refraction: 1.570
Molar Refractivity: 41.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.25
ACD/LogD (pH 5.5): 0.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 30.29
ACD/LogD (pH 7.4): -0.67
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.86
Polar Surface Area: 101 Å2
Polarizability: 16.5±0.5 10-24cm3
Surface Tension: 64.9±3.0 dyne/cm
Molar Volume: 127.2±3.0 cm3

Click to predict properties on the Chemicalize site