ChemSpider 2D Image | 3-(Nitromethylene)oxetane | C4H5NO3


  • Molecular FormulaC4H5NO3
  • Average mass115.087 Da
  • Monoisotopic mass115.026939 Da
  • ChemSpider ID26232098

More details:

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

3-(Nitromethylen)oxetan [German] [ACD/IUPAC Name]
3-(Nitromethylene)oxetane [ACD/IUPAC Name]
3-(Nitrométhylène)oxétane [French] [ACD/IUPAC Name]
MFCD12547195 [MDL number]
Oxetane, 3-(nitromethylene)- [ACD/Index Name]
3-(nitromethylene)oxetane, >95%

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

  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      Not Available Novochemy [NC-43823]
    • Safety:

      20/21/22 Novochemy [NC-43823]
      20/21/36/37/39 Novochemy [NC-43823]
      GHS07; GHS09 Novochemy [NC-43823]
      H332; H403 Novochemy [NC-43823]
      Harmful/Irritant/Store at -20?C SynQuest 4H54-1-DJ
      Harmful/Irritant/Store at -20°C SynQuest 4H54-1-DJ
      IRRITANT, REFRIGERATE Matrix Scientific 067035
      P102; P210; P262; P270; P302+P352; P308+P313 Novochemy [NC-43823]
      R52/1141 Novochemy [NC-43823]
      Warning Novochemy [NC-43823]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 243.1±33.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.5 mmHg at 25°C
Enthalpy of Vaporization: 46.1±3.0 kJ/mol
Flash Point: 145.5±27.4 °C
Index of Refraction: 1.655
Molar Refractivity: 27.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.63
ACD/LogD (pH 5.5): 0.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 27.33
ACD/LogD (pH 7.4): 0.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 27.33
Polar Surface Area: 55 Å2
Polarizability: 11.0±0.5 10-24cm3
Surface Tension: 76.9±3.0 dyne/cm
Molar Volume: 75.5±3.0 cm3

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