[3-(diphenylphosphanyl)propyl]diphenylphosphane (acetyloxy)palladio acetate

• ChemBase ID: 295078
• Molecular Formular: C31H32O4P2Pd
• Molecular Mass: 636.950902
• Monoisotopic Mass: 636.08106876
• SMILES: P(CCCP(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[Pd](OC(=O)C)OC(=O)C
• Canonical SMILES: C(CP(c1ccccc1)c1ccccc1)CP(c1ccccc1)c1ccccc1.CC(=O)O[Pd]OC(=O)C
• InChI: InChI=1S/C27H26P2.2C2H4O2.Pd/c1-5-14-24(15-6-1)28(25-16-7-2-8-17-25)22-13-23-29(26-18-9-3-10-19-26)27-20-11-4-12-21-27;2*1-2(3)4;/h1-12,14-21H,13,22-23H2;2*1H3,(H,3,4);/q;;;+2/p-2
• InChIKey: KCQJJIGUZDDNID-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(diphenylphosphanyl)propyl]diphenylphosphane (acetyloxy)palladio acetate
• IUPAC Traditional name: [3-(diphenylphosphanyl)propyl]diphenylphosphane (acetyloxy)palladio acetate
• Synonyms: Pd(OAc)2(dppp); Diacetato[1,3-bis(diphenylphosphino)propane]palladium(II)

Database IDs

• CAS Number: 149796-59-8
• PubChem SID: 180680609
• PubChem CID: 11767396

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 7.1541
• LogD (pH = 7.4): 7.1541
• Log P: 7.1541
• Molar Refractivity: 126.3902 cm^3
• Polarizability: 50.2117 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: Crystalline solid

Safety Information

• Storage Warning: Moisture Sensitive
• TSCA Listed: 否
• GHS Pictograms: GHS06
• GHS Hazard statements: H301-H332
• GHS Precautionary statements: P261-P301+P310-P321-P304+P340-P405-P501

Product Information

• Purity: Pd 16.7%