[(diphenylphosphoroso)methyl]diphenylphosphane

• ChemBase ID: 151704
• Molecular Formular: C25H22OP2
• Molecular Mass: 400.389102
• Monoisotopic Mass: 400.11458858
• SMILES: c1ccc(cc1)P(CP(=O)(c1ccccc1)c1ccccc1)c1ccccc1
• Canonical SMILES: O=P(c1ccccc1)(c1ccccc1)CP(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C25H22OP2/c26-28(24-17-9-3-10-18-24,25-19-11-4-12-20-25)21-27(22-13-5-1-6-14-22)23-15-7-2-8-16-23/h1-20H,21H2
• InChIKey: MZNZKBJIWPGRID-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(diphenylphosphoroso)methyl]diphenylphosphane
• IUPAC Traditional name: [(diphenylphosphoroso)methyl]diphenylphosphane
• Synonyms: Bis(diphenylphosphinomethyldiphenylphosphine oxide; Bis(diphenylphosphine)methane monooxide; 双二苯基膦基甲基二苯基氧化膦; 双(二苯基膦)甲烷一氧化物

Database IDs

• CAS Number: 23176-18-3
• MDL Number: MFCD00356638
• PubChem SID: 24880347; 162245854
• PubChem CID: 303894

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 6.7949
• LogD (pH = 7.4): 6.7949
• Log P: 6.7949
• Molar Refractivity: 118.2164 cm^3
• Polarizability: 47.16142 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 187-191 °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: 97%
• Linear Formula: (C6H5)2POCH2P(C6H5)2

DETAILS

Sigma Aldrich - 567132

Packaging
1, 5 g in glass bottle