phenylphosphinic acid

• ChemBase ID: 150734
• Molecular Formular: C6H7O2P
• Molecular Mass: 142.092341
• Monoisotopic Mass: 142.01836609
• SMILES: c1ccc(cc1)P(=O)O
• Canonical SMILES: OP(=O)c1ccccc1
• InChI: InChI=1S/C6H7O2P/c7-9(8)6-4-2-1-3-5-6/h1-5,9H,(H,7,8)
• InChIKey: MLCHBQKMVKNBOV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: phenylphosphinic acid
• IUPAC Traditional name: phenylphosphinic acid
• Synonyms: Phenylphosphinic acid; 苯基次膦酸

Database IDs

• CAS Number: 1779-48-2
• EC Number: 217-217-3
• MDL Number: MFCD00002131
• Beilstein Number: 2802244
• PubChem SID: 162244895; 24898369
• PubChem CID: 6327116

CALCULATED PROPERTIES

• Acid pKa: 2.918505
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.4057299
• LogD (pH = 7.4): -1.5725914
• Log P: 0.6886
• Molar Refractivity: 35.4818 cm^3
• Polarizability: 14.0391245 Å^3
• Polar Surface Area: 37.3 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 83-85 °C(lit.)

Safety Information

• RTECS: SZ5462500
• European Hazard Symbols: Corrosive (C)
• UN Number: 3261
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 3
• Risk Statements: 22-34
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H314
• GHS Precautionary statements: P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 3261 8/PG 3

Product Information

• Purity: 99%
• Linear Formula: C6H5P(O)(OH)H

DETAILS

Sigma Aldrich - P28808

Packaging
100, 500 g in poly bottle
5 g in glass bottle