methyl(phenyl)phosphinic acid

• ChemBase ID: 295560
• Molecular Formular: C7H9O2P
• Molecular Mass: 156.118921
• Monoisotopic Mass: 156.03401616
• SMILES: CP(=O)(c1ccccc1)O
• Canonical SMILES: CP(=O)(c1ccccc1)O
• InChI: InChI=1S/C7H9O2P/c1-10(8,9)7-5-3-2-4-6-7/h2-6H,1H3,(H,8,9)
• InChIKey: RMJCJLHZCBFPDN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl(phenyl)phosphinic acid
• IUPAC Traditional name: methyl(phenyl)phosphinic acid
• Synonyms: Methylphenylphosphinic acid; 甲苯基膦酸

Database IDs

• CAS Number: 4271-13-0
• MDL Number: MFCD00123313
• PubChem SID: 180681091
• PubChem CID: 345468

CALCULATED PROPERTIES

• Acid pKa: 2.9371872
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.346922
• LogD (pH = 7.4): -1.5197772
• Log P: 0.7413
• Molar Refractivity: 40.6275 cm^3
• Polarizability: 15.870958 Å^3
• Polar Surface Area: 37.3 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 132-134°C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 98%