fluorophosphonic acid

• ChemBase ID: 98243
• Molecular Formular: FH2O3P
• Molecular Mass: 99.9862442
• Monoisotopic Mass: 99.97255877
• SMILES: P(=O)(O)(O)F
• Canonical SMILES: OP(=O)(F)O
• InChI: InChI=1S/FH2O3P/c1-5(2,3)4/h(H2,2,3,4)
• InChIKey: DWYMPOCYEZONEA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: fluorophosphonic acid
• IUPAC Traditional name: fluorophosphoric acid
• Synonyms: FLUOROPHOSPHORIC ACID; Fluorophosphoric acid solution; Monofluorophosphoric acid, 70% in water; 氟磷酸 溶液

Database IDs

• CAS Number: 13537-32-1
• MDL Number: MFCD00011334
• PubChem SID: 162084694; 24859463
• PubChem CID: 24267

CALCULATED PROPERTIES

• Acid pKa: 0.10044052
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.0146842
• LogD (pH = 7.4): -4.2029057
• Log P: -0.54229677
• Molar Refractivity: 13.5886 cm^3
• Polarizability: 5.3812814 Å^3
• Polar Surface Area: 57.53 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Density: 1.83; 1.83 g/mL at 25 °C

Safety Information

• Storage Warning: Corrosive/Toxic/Hygroscopic/Store under Argon
• RTECS: TE5000000
• European Hazard Symbols: Toxic (T)
• UN Number: 1776
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 23/24/25-34
• Safety Statements: 26-27-36/37/39-45
• RID/ADR: UN 1776 8/PG 2

Product Information

• Concentration: 70 wt. % in H2O
• Linear Formula: FP(O)(OH)2

DETAILS

MP Biomedicals - 05203701

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 324744

Other Notes
Contains H3PO4 and varying amounts of other hydrolysis products
Packaging
100 g in poly bottle