• ChemBase ID: 6441
• Molecular Formular: C34H38Cl2FeP2Pd
• Molecular Mass: 741.784042
• Monoisotopic Mass: 740.02100334
• SMILES: [Fe].[Pd](Cl)Cl.C1CCCC1P(c1ccccc1)c1ccccc1.C1CCCC1P(c1ccccc1)c1ccccc1
• Canonical SMILES: C1CCC(C1)P(c1ccccc1)c1ccccc1.C1CCC(C1)P(c1ccccc1)c1ccccc1.Cl[Pd]Cl.[Fe]
• InChI: InChI=1S/2C17H19P.2ClH.Fe.Pd/c2*1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;;;;/h2*1-6,9-12,17H,7-8,13-14H2;2*1H;;/q;;;;;+2/p-2
• InChIKey: WPFRXYYDAKYBMX-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• Synonyms: [1,1'-Bis(diphenylphosphino)ferrocene]-dichloropalladium(II)

Database IDs

• CAS Number: 72287-26-4
• MDL Number: MFCD00015757
• PubChem SID: 160969748
• PubChem CID: 45074724

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.7655
• LogD (pH = 7.4): 4.7655
• Log P: 4.7655
• Molar Refractivity: 77.2799 cm^3
• Polarizability: 30.609009 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 275-280°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false