2λ5-triaz-1-en-2-yne

• ChemBase ID: 127737
• Molecular Formular: HN3
• Molecular Mass: 43.02804
• Monoisotopic Mass: 43.01704705
• SMILES: [N-]=[N+]=N
• Canonical SMILES: [N-]=[N+]=N
• InChI: InChI=1S/HN3/c1-3-2/h1H
• InChIKey: JUINSXZKUKVTMD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2λ^5-triaz-1-en-2-yne
• IUPAC Traditional name: hydrazoic acid
• Synonyms: Hydrazoic acid

Database IDs

• CAS Number: 7782-79-8
• PubChem SID: 162222055
• PubChem CID: 24530
• CHEBI ID: 29449
• CHEMBL: 186537
• Chemspider ID: 22937
• Wikipedia Title: Hydrazoic_acid

CALCULATED PROPERTIES

• Acid pKa: 5.091568
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.11483899
• LogD (pH = 7.4): -0.14936252
• Log P: 0.07809129
• Molar Refractivity: 8.7217 cm^3
• Polarizability: 3.1193025 Å^3
• Polar Surface Area: 40.92 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: highly soluble in water; soluble in alkali, alcohol, ether
• Apperance: colorless, highly volatile liquid
• Melting Point: -80°C
• Boiling Point: 37°C
• Density: 1.09 g/cm^3
• pKa: 4.6

Safety Information

• Risk Statements: R3, R27/28
• Safety Statements: S33, S36/37, S38
• EU Index: Not listed
• Main Hazard: Highly toxic, explosive, reactive
• NFPA704:
  

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