diphenylphosphinoyl azide

• ChemBase ID: 127134
• Molecular Formular: C12H10N3OP
• Molecular Mass: 243.201061
• Monoisotopic Mass: 243.05614859
• SMILES: O=P(N=[N+]=[N-])(c1ccccc1)c1ccccc1
• Canonical SMILES: O=P(c1ccccc1)(c1ccccc1)N=[N+]=[N-]
• InChI: InChI=1S/C12H10N3OP/c13-14-15-17(16,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
• InChIKey: MKRTXPORKIRPDG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: diphenylphosphinoyl azide
• IUPAC Traditional name: diphenylphosphoryl azide
• Synonyms: Diphenylphosphonic azide; Diphenyl azidophosphate; Phosphoric acid diphenyl ester azide; Diphenylphosphoryl azide

Database IDs

• CAS Number: 26386-88-9
• PubChem SID: 162221456
• PubChem CID: 199401
• Chemspider ID: 172597
• Wikipedia Title: Diphenylphosphoryl_azide

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.1902
• LogD (pH = 7.4): 3.1902
• Log P: 3.2503
• Molar Refractivity: 66.2486 cm^3
• Polarizability: 25.580973 Å^3
• Polar Surface Area: 46.5 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Colourless or faintly yellow liquid
• Boiling Point: 157 °C (0.2 mmHg)
• Flash Point: 112 °C
• Density: 1.277 g/cm^3

Safety Information

• Safety Statements: R
• NFPA704:
  

  1

  4

  0

Product Information

• Purity: 98%