{2-[2-(diphenylphosphanyl)benzoyl]phenyl}diphenylphosphane

• ChemBase ID: 141510
• Molecular Formular: C37H28OP2
• Molecular Mass: 550.565142
• Monoisotopic Mass: 550.16153878
• SMILES: c1ccc(cc1)P(c1ccccc1)c1ccccc1C(=O)c1ccccc1P(c1ccccc1)c1ccccc1
• Canonical SMILES: O=C(c1ccccc1P(c1ccccc1)c1ccccc1)c1ccccc1P(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C37H28OP2/c38-37(33-25-13-15-27-35(33)39(29-17-5-1-6-18-29)30-19-7-2-8-20-30)34-26-14-16-28-36(34)40(31-21-9-3-10-22-31)32-23-11-4-12-24-32/h1-28H
• InChIKey: RKNMFQXZZRUBQH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {2-[2-(diphenylphosphanyl)benzoyl]phenyl}diphenylphosphane
• IUPAC Traditional name: {2-[2-(diphenylphosphanyl)benzoyl]phenyl}diphenylphosphane
• Synonyms: Bis[2-(diphenylphosphino)phenyl]methanone; 2,2′ Bis(diphenylphosphino)benzophenone; DPBP-bidentate phosphine; 2,2′-双(二苯基磷)二苯酮

Database IDs

• CAS Number: 845821-92-3
• MDL Number: MFCD11045384
• PubChem SID: 162235744
• PubChem CID: 11528084

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 9.388
• LogD (pH = 7.4): 9.388
• Log P: 9.388
• Molar Refractivity: 167.7633 cm^3
• Polarizability: 65.93671 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 152-156 °C

Product Information

• Purity: 95%
• Empirical Formula (Hill Notation): C37H28OP2

DETAILS

Sigma Aldrich - 692344

Packaging
100, 500 mg in glass bottle
Legal Information
Sold in collaboration with Takasago for research purposes only. US7473793
Application
Reactant for benzophenone-derived catalysts1