nitrooyl chloride

• ChemBase ID: 128630
• Molecular Formular: ClNO
• Molecular Mass: 65.4591
• Monoisotopic Mass: 64.96684131
• SMILES: ClN=O
• Canonical SMILES: ClN=O
• InChI: InChI=1S/ClNO/c1-2-3
• InChIKey: VPCDQGACGWYTMC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: nitrooyl chloride
• IUPAC Systematic name: Nitrooyl chloride
• IUPAC Traditional name: nitrosyl chloride
• Synonyms: Nitrogen oxychloride; Nitrosonium chloride; Tildens Reagent; Nitrosyl chloride

Database IDs

• CAS Number: 2696-92-6
• EC Number: 220-273-1
• PubChem SID: 162222937
• PubChem CID: 17601
• Chemspider ID: 16641
• MeSH Name: nitrosyl+chloride
• Wikipedia Title: Nitrosyl_chloride

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.93153393
• LogD (pH = 7.4): 0.93153393
• Log P: 0.93153393
• Molar Refractivity: 12.2934 cm^3
• Polarizability: 3.9864395 Å^3
• Polar Surface Area: 29.43 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Reacts in water
• Apperance: Yellow gas
• Melting Point: -59.4°C
• Boiling Point: -5.55°C
• Density: 2.872 mg mL^-1
• Std enthalpy of formation: 51.71 kJ mol^-1
• Std molar entropy: 261.68 kJ mol^-1

Safety Information

• RTECS: QZ7883000
• UN Number: 1069
• NFPA704:
  

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