bis(4-methoxyphenyl)phosphinic acid

• ChemBase ID: 148739
• Molecular Formular: C14H15O4P
• Molecular Mass: 278.240261
• Monoisotopic Mass: 278.07079559
• SMILES: COc1ccc(cc1)P(=O)(c1ccc(cc1)OC)O
• Canonical SMILES: COc1ccc(cc1)P(=O)(c1ccc(cc1)OC)O
• InChI: InChI=1S/C14H15O4P/c1-17-11-3-7-13(8-4-11)19(15,16)14-9-5-12(18-2)6-10-14/h3-10H,1-2H3,(H,15,16)
• InChIKey: BFPBWJGVRNQWEK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(4-methoxyphenyl)phosphinic acid
• IUPAC Traditional name: bis(4-methoxyphenyl)phosphinic acid
• Synonyms: Bis(4-methoxyphenyl)phosphinic acid; 双(4-甲氧基苯基)次膦酸

Database IDs

• CAS Number: 20434-05-3
• MDL Number: MFCD00010226
• PubChem SID: 162242914; 24856592
• PubChem CID: 624223

CALCULATED PROPERTIES

• Acid pKa: 2.4034278
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.09319563
• LogD (pH = 7.4): -0.15160157
• Log P: 2.1114
• Molar Refractivity: 73.0825 cm^3
• Polarizability: 28.633154 Å^3
• Polar Surface Area: 55.76 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 185-187 °C(lit.)

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 99%
• Linear Formula: (CH3OC6H4)2P(O)OH

DETAILS

Sigma Aldrich - 274607

Packaging
5 g in glass bottle