azidochlorane

• ChemBase ID: 126509
• Molecular Formular: ClN3
• Molecular Mass: 77.4731
• Monoisotopic Mass: 76.9780747
• SMILES: [N-]=[N+]=NCl
• Canonical SMILES: [N-]=[N+]=NCl
• InChI: InChI=1S/ClN3/c1-3-4-2
• InChIKey: ZGNIYAPHJAPRMA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: azidochlorane
• IUPAC Traditional name: chlorine azide
• Synonyms: Chlorine nitride; Nitrogen chloride; Chlorine azide

Database IDs

• PubChem SID: 162220842
• PubChem CID: 61708
• Wikipedia Title: Chlorine_azide

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.1601498
• LogD (pH = 7.4): 1.1601498
• Log P: 1.2741954
• Molar Refractivity: 17.0076 cm^3
• Polarizability: 5.136274 Å^3
• Polar Surface Area: 29.43 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Soluble in butane, pentane, benzene, methanol, ethanol, diethyl ether, acetone, chloroform, carbon tetrachloride, and carbon disulfide; slightly soluble in water
• Apperance: Yellow orange liquid
• Melting Point: -100°C
• Boiling Point: -15°C

Safety Information

• Main Hazard: Harmful, explosive
• Friction Sensitivity: Extreme
• Shock Sensitivity: Extreme