diphenylphosphinic acid

• ChemBase ID: 83018
• Molecular Formular: C12H11O2P
• Molecular Mass: 218.188301
• Monoisotopic Mass: 218.04966622
• SMILES: P(=O)(c1ccccc1)(c1ccccc1)O
• Canonical SMILES: OP(=O)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C12H11O2P/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H,13,14)
• InChIKey: BEQVQKJCLJBTKZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: diphenylphosphinic acid
• IUPAC Traditional name: diphenylphosphinic acid
• Synonyms: Diphenylphosphinic acid; Diphenylphosphinic acid; 二苯基膦酸; 二苯基磷酸

Database IDs

• CAS Number: 1707-03-5
• EC Number: 216-948-5
• MDL Number: MFCD00002132
• Beilstein Number: 2804567
• PubChem SID: 162070137; 24867024
• PubChem CID: 15567

CALCULATED PROPERTIES

• Acid pKa: 2.6572175
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.45400137
• LogD (pH = 7.4): 0.3544312
• Log P: 2.6168
• Molar Refractivity: 60.1561 cm^3
• Polarizability: 23.578903 Å^3
• Polar Surface Area: 37.3 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 193°C; 193-195 °C(lit.); 193-195°C; 193-196 °C; 193-197°C

Safety Information

• Storage Warning: Irritant
• RTECS: SZ5315000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 22-24/25; 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
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥98.0% (T); 99%
• Linear Formula: (C6H5)2P(O)OH

DETAILS

MP Biomedicals - 05209872

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 43153

Application
Important starting material for the synthesis of organophosphinic compounds
Packaging
5 g in glass bottle

REFERENCES

• Esters can be prepared by alkylation of the potassium salt in the presence of 18-Crown-6, A11249: Synthesis, 632 (1980).