phenylphosphonous acid

• ChemBase ID: 295451
• Molecular Formular: C6H7O2P
• Molecular Mass: 142.092341
• Monoisotopic Mass: 142.01836609
• SMILES: c1ccc(cc1)P(O)O
• Canonical SMILES: OP(c1ccccc1)O
• InChI: InChI=1S/C6H7O2P/c7-9(8)6-4-2-1-3-5-6/h1-5,7-8H
• InChIKey: CGNKSELPNJJTSM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: phenylphosphonous acid
• IUPAC Traditional name: phenylphosphonous acid
• Synonyms: Benzenephosphinic acid; Phenylphosphinic acid; 苯基磷酸

Database IDs

• CAS Number: 1779-48-2
• EC Number: 217-217-3
• MDL Number: MFCD00002131
• Beilstein Number: 2802244
• PubChem SID: 180680982
• PubChem CID: 72903

CALCULATED PROPERTIES

• Acid pKa: 15.000742
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.8298
• LogD (pH = 7.4): 0.8298
• Log P: 0.8298
• Molar Refractivity: 35.8035 cm^3
• Polarizability: 14.283575 Å^3
• Polar Surface Area: 40.46 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 83-85°C

Safety Information

• RTECS: SZ5462500
• European Hazard Symbols: Corrosive (C); X
• UN Number: UN3261
• Hazard Class: 8
• Packing Group: III
• Risk Statements: 22-34
• Safety Statements: 20-26-36/37/39-45
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS07
• GHS Hazard statements: H314-H318-H302
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A

Product Information

• Purity: 98%