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

• ChemBase ID: 296634
• Molecular Formular: C36H28P2
• Molecular Mass: 522.555042
• Monoisotopic Mass: 522.16662416
• SMILES: c1ccc(cc1)P(c1ccccc1)c1ccccc1c1ccccc1P(c1ccccc1)c1ccccc1
• Canonical SMILES: c1ccc(cc1)P(c1ccccc1c1ccccc1P(c1ccccc1)c1ccccc1)c1ccccc1
• InChI: InChI=1S/C36H28P2/c1-5-17-29(18-6-1)37(30-19-7-2-8-20-30)35-27-15-13-25-33(35)34-26-14-16-28-36(34)38(31-21-9-3-10-22-31)32-23-11-4-12-24-32/h1-28H
• InChIKey: GRTJBNJOHNTQBO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {2-[2-(diphenylphosphanyl)phenyl]phenyl}diphenylphosphane
• IUPAC Traditional name: {2-[2-(diphenylphosphanyl)phenyl]phenyl}diphenylphosphane
• Synonyms: BIPHEP; 2,2'-Bis(diphenylphosphino)biphenyl; 2,2'-双(二苯基磷)联苯

Database IDs

• CAS Number: 84783-64-2
• MDL Number: MFCD03094574
• PubChem SID: 180682165
• PubChem CID: 2734940

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 9.851
• LogD (pH = 7.4): 9.851
• Log P: 9.851
• Molar Refractivity: 162.324 cm^3
• Polarizability: 65.38048 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 211-215°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: 98%