({[(diphenylphosphanyl)methyl](phenyl)phosphoryl}methyl)diphenylphosphane

• ChemBase ID: 297336
• Molecular Formular: C32H29OP3
• Molecular Mass: 522.493343
• Monoisotopic Mass: 522.14312544
• SMILES: c1(ccccc1)P(c1ccccc1)CP(=O)(c1ccccc1)CP(c1ccccc1)c1ccccc1
• Canonical SMILES: O=P(c1ccccc1)(CP(c1ccccc1)c1ccccc1)CP(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C32H29OP3/c33-36(32-24-14-5-15-25-32,26-34(28-16-6-1-7-17-28)29-18-8-2-9-19-29)27-35(30-20-10-3-11-21-30)31-22-12-4-13-23-31/h1-25H,26-27H2
• InChIKey: NENOPSPISCHXLK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ({[(diphenylphosphanyl)methyl](phenyl)phosphoryl}methyl)diphenylphosphane
• IUPAC Traditional name: {[(diphenylphosphanyl)methyl(phenyl)phosphoryl]methyl}diphenylphosphane
• Synonyms: 1,1,3,5,5-Pentaphenyl-1,3,5-triphosphapentane trioxide; Bis(diphenylphosphinomethyl)phenylphosphine oxide

Database IDs

• CAS Number: 21851-89-8
• MDL Number: MFCD00482218
• PubChem SID: 180682867
• PubChem CID: 21983146

CALCULATED PROPERTIES

• Acid pKa: 19.643679
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 8.8346
• LogD (pH = 7.4): 8.8346
• Log P: 8.8346
• Molar Refractivity: 153.367 cm^3
• Polarizability: 61.166046 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37-60
• 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: 95%