• ChemBase ID: 10546
• Molecular Formular: C34H38FeP2
• Molecular Mass: 564.458042
• Monoisotopic Mass: 564.17981198
• SMILES: [Fe].C1CCC(C1)P(c1ccccc1)c1ccccc1.C1CCC(C1)P(c1ccccc1)c1ccccc1
• Canonical SMILES: C1CCC(C1)P(c1ccccc1)c1ccccc1.C1CCC(C1)P(c1ccccc1)c1ccccc1.[Fe]
• InChI: InChI=1S/2C17H19P.Fe/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
• InChIKey: ZIEQNLQJWACVCA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• Synonyms: 1,1'-Bis(diphenylphosphino)ferrocene

Database IDs

• CAS Number: 12150-46-8
• MDL Number: MFCD00001422
• PubChem SID: 160973853
• PubChem CID: 24721398

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

Safety Information

• Storage Warning: IRRITANT, KEEP COLD
• TSCA Listed: false

Product Information

• Purity: 98%