λ2-iron(2+) ion bis(3-(di-tert-butylphosphanyl)cyclopenta-2,4-dien-1-ide) dibromopalladium

• ChemBase ID: 295069
• Molecular Formular: C26H44Br2FeP2Pd
• Molecular Mass: 740.648082
• Monoisotopic Mass: 737.96692217
• SMILES: CC(C)(C)P(C1=C[CH-]C=C1)C(C)(C)C.C1(=C[CH-]C=C1)P(C(C)(C)C)C(C)(C)C.[Fe+2].[Pd](Br)Br
• Canonical SMILES: CC(P(C(C)(C)C)C1=C[CH-]C=C1)(C)C.CC(P(C(C)(C)C)C1=C[CH-]C=C1)(C)C.Br[Pd]Br.[Fe+2]
• InChI: InChI=1S/2C13H22P.2BrH.Fe.Pd/c2*1-12(2,3)14(13(4,5)6)11-9-7-8-10-11;;;;/h2*7-10H,1-6H3;2*1H;;/q2*-1;;;2*+2/p-2
• InChIKey: SSCAGSSZVQHQTF-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: λ^2-iron(2+) ion bis(3-(di-tert-butylphosphanyl)cyclopenta-2,4-dien-1-ide) dibromopalladium
• IUPAC Traditional name: λ^2-iron(2+) ion bis(3-(di-tert-butylphosphanyl)cyclopenta-2,4-dien-1-ide) dibromopalladium
• Synonyms: PdBr2(dtbpf); [1,1'-Bis(di-tert-butylphosphino)ferrocene]dibromopalladium(II); Dibromo[1,1'-bis(di-tert-butylphosphino)ferrocene]palladium(II)

Database IDs

• CAS Number: 1000310-63-3
• PubChem SID: 180680600
• PubChem CID: 73994980

CALCULATED PROPERTIES

• Acid pKa: 15.966046
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.147013
• LogD (pH = 7.4): 2.145428
• Log P: 3.6122
• Molar Refractivity: 65.3359 cm^3
• Polarizability: 26.208088 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: Crystalline solid

Safety Information

• TSCA Listed: 否

Product Information

• Purity: Pd 14.4%