dioxoamine

• ChemBase ID: 128618
• Molecular Formular: HNO2
• Molecular Mass: 47.01344
• Monoisotopic Mass: 47.00072828
• SMILES: O=[NH+][O-]
• Canonical SMILES: [O-][NH+]=O
• InChI: InChI=1S/HNO2/c2-1-3/h1H
• InChIKey: BLNWTAHYTCHDJH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dioxoamine
• IUPAC Traditional name: nitrite ion
• Synonyms: Nitrogen(IV) oxide; Nitrogen dioxide

Database IDs

• CAS Number: 10102-44-0
• EC Number: 233-272-6
• PubChem SID: 162222925
• PubChem CID: 24529; 3032552
• CHEBI ID: 33101
• Chemspider ID: 2297499
• Gmelin ID: 976
• Wikipedia Title: Nitrogen_dioxide

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.5537293
• LogD (pH = 7.4): 2.5537293
• Log P: 2.5537293
• Molar Refractivity: 8.6042 cm^3
• Polarizability: 2.647931 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Reacts in water
• Apperance: Vivid orange gas
• Boiling Point: 21°C
• Density: 2.62 g dm^-3
• Refractive Index: 1.449 (at 20 °C)
• Vapor Pressure: 98.80 kPa (at 20 °C)
• Std enthalpy of formation: +34 kJ·mol^-1
• Std molar entropy: 240 J·mol^-1·K^-1

Safety Information

• RTECS: QW9800000
• European Hazard Symbols: Highly toxic (T+)
• UN Number: 1067
• Risk Statements: R26, R34, R8
• Safety Statements: S1/2, S9, S26, S28, S36/37/39, S45
• EU Index: 007-002-00-0
• GHS Pictograms: GHS03; GHS05; GHS06
• GHS Signal Word: Danger
• NFPA704:
  

  0

  3

  0

  OX
• GHS Hazard statements: 270, 314, 330
• GHS Precautionary statements: 220, 260, 280, 284, 305+351+338, 310