carbonyl difluoride

• ChemBase ID: 126414
• Molecular Formular: CF2O
• Molecular Mass: 66.0069064
• Monoisotopic Mass: 65.99172106
• SMILES: FC(=O)F
• Canonical SMILES: FC(=O)F
• InChI: InChI=1S/CF2O/c2-1(3)4
• InChIKey: IYRWEQXVUNLMAY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: carbonyl difluoride
• IUPAC Traditional name: carbonyl fluoride
• Synonyms: Fluorophosgene; Carbon difluoride oxide; Carbonyl fluoride

Database IDs

• CAS Number: 353-50-4
• PubChem SID: 162220748
• PubChem CID: 9623
• Chemspider ID: 9246
• Wikipedia Title: Carbonyl_fluoride

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.74153215
• LogD (pH = 7.4): 0.74153215
• Log P: 0.74153215
• Molar Refractivity: 7.9452 cm^3
• Polarizability: 2.8314054 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Colorless gas
• Melting Point: -111.26°C
• Boiling Point: -84.57°C
• Flash Point: Non-flammable
• Density: 2.698 g dm^-3 (gas), 1.139 g dm^-3 (liquid at melting point)

Safety Information

• RTECS: FG6125000
• UN Number: 2417
• Main Hazard: Highly toxic (Often fatal), Water reactive
• NFPA704:
  

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