phosphoroyl trifluoride

• ChemBase ID: 128967
• Molecular Formular: F3OP
• Molecular Mass: 103.9683706
• Monoisotopic Mass: 103.96388591
• SMILES: O=P(F)(F)F
• Canonical SMILES: FP(=O)(F)F
• InChI: InChI=1S/F3OP/c1-5(2,3)4
• InChIKey: FFUQCRZBKUBHQT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: phosphoroyl trifluoride
• IUPAC Traditional name: phosphoroyl trifluoride
• Synonyms: Phosphorus oxyfluoride; Phosphoric trifluoride; Phosphoryl fluoride

Database IDs

• CAS Number: 13478-20-1
• PubChem SID: 162223269
• PubChem CID: 83516
• Wikipedia Title: Phosphoryl_fluoride

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.41331738
• LogD (pH = 7.4): 0.41331738
• Log P: 0.41331738
• Molar Refractivity: 11.462 cm^3
• Polarizability: 4.372321 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Reacts in water; Reacts with alcohol and acid; soluble in ether and hydrocarbons
• Apperance: Clear, colourless gas
• Boiling Point: -39.7°C

Safety Information

• Risk Statements: R14, R22, R26, R35, R48/23
• Safety Statements: S1/2, S7/8, S26, S36/37/39, S45
• EU Index: 015-009-00-5
• Main Hazard: Poison, corrosive, can form HF on contact with H₂O
• NFPA704:
  

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