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

• ChemBase ID: 296011
• Molecular Formular: C32H28P2
• Molecular Mass: 474.512242
• Monoisotopic Mass: 474.16662416
• SMILES: c1ccc(cc1)P(Cc1ccccc1CP(c1ccccc1)c1ccccc1)c1ccccc1
• Canonical SMILES: c1ccc(c(c1)CP(c1ccccc1)c1ccccc1)CP(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C32H28P2/c1-5-17-29(18-6-1)33(30-19-7-2-8-20-30)25-27-15-13-14-16-28(27)26-34(31-21-9-3-10-22-31)32-23-11-4-12-24-32/h1-24H,25-26H2
• InChIKey: BZDNMSNFLZXRLY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ({2-[(diphenylphosphanyl)methyl]phenyl}methyl)diphenylphosphane
• IUPAC Traditional name: ({2-[(diphenylphosphanyl)methyl]phenyl}methyl)diphenylphosphane
• Synonyms: alpha,alpha'-Bis(diphenylphosphino)-o-xylene; 1,2-Bis(diphenylphosphinomethyl)benzene; 1,2-双(联苯代磷甲基)苯

Database IDs

• CAS Number: 62144-65-4
• MDL Number: MFCD00015429
• PubChem SID: 180681542
• PubChem CID: 4642097

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 8.7864
• LogD (pH = 7.4): 8.7864
• Log P: 8.7864
• Molar Refractivity: 146.661 cm^3
• Polarizability: 58.00306 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 123-125°C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 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

Product Information

• Purity: 95%