dinitrogen tetroxide

• ChemBase ID: 127105
• Molecular Formular: N2O4
• Molecular Mass: 92.011
• Monoisotopic Mass: 91.98580649
• SMILES: [O-][N+](=O)[N+](=O)[O-]
• Canonical SMILES: [O-][N+](=O)[N+](=O)[O-]
• InChI: InChI=1S/N2O4/c3-1(4)2(5)6
• InChIKey: WFPZPJSADLPSON-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dinitrogen tetroxide
• IUPAC Traditional name: dinitrogen tetroxide
• Synonyms: Dinitrogen(II) oxide(-I); Dinitrogen tetroxide

Database IDs

• CAS Number: 10544-72-6
• EC Number: 234-126-4
• PubChem SID: 162221428
• PubChem CID: 25352
• CHEBI ID: 29803
• Chemspider ID: 23681
• Wikipedia Title: Dinitrogen_tetroxide

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 3.3354728
• LogD (pH = 7.4): 3.3354728
• Log P: 3.3354728
• Molar Refractivity: 12.78 cm^3
• Polarizability: 4.8444605 Å^3
• Polar Surface Area: 91.64 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: reacts in water
• Apperance: colourless gas / orange liquid
• Melting Point: −11.2°C
• Boiling Point: 21.69°C
• Flash Point: Non-flammable
• Density: 1.443 g/cm^3 (liquid, 21 °C)
• Refractive Index: 1.00112
• Vapor Pressure: 96 kPa (20 °C)
• Std enthalpy of formation: +9.16 kJ/mol
• Std molar entropy: 304.29 J K^−1 mol^−1

Safety Information

• RTECS: QW9800000
• European Hazard Symbols: Corrosive (C); Very toxic (T+)
• UN Number: 1067
• Risk Statements: R26, R34
• Safety Statements: S1/2, S9, S26, S28, S36/37/39, S45
• EU Index: 007-002-00-0
• NFPA704:
  

  0

  3

  0

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