hydroxyphosphonoyl difluoride

• ChemBase ID: 96454
• Molecular Formular: F2HO2P
• Molecular Mass: 101.9773074
• Monoisotopic Mass: 101.96822234
• SMILES: P(=O)(O)(F)F
• Canonical SMILES: OP(=O)(F)F
• InChI: InChI=1S/F2HO2P/c1-5(2,3)4/h(H,3,4)
• InChIKey: DGTVXEHQMSJRPE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: hydroxyphosphonoyl difluoride
• IUPAC Traditional name: hydroxyphosphonoyl difluoride
• Synonyms: DIFLUOROPHOSPHORIC ACID; Difluorophosphoric acid (solution)

Database IDs

• CAS Number: 13779-41-4
• EC Number: 237-421-6
• MDL Number: MFCD08461583
• PubChem SID: 162083103
• PubChem CID: 61681

CALCULATED PROPERTIES

• Acid pKa: -1.4820354
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.4408777
• LogD (pH = 7.4): -2.4408884
• Log P: -0.06448969
• Molar Refractivity: 12.5253 cm^3
• Polarizability: 4.862853 Å^3
• Polar Surface Area: 37.3 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Corrosive
• RTECS: TD4460000
• European Hazard Symbols: Corrosive (C)
• Risk Statements: R:34
• Safety Statements: S:26-27/28-36/37/39-46-64

DETAILS

MP Biomedicals - 05201700

MP Biomedicals Rare Chemical collection