λ2-iron(2+) ion bis(3-[bis(propan-2-yl)phosphanyl]cyclopenta-2,4-dien-1-ide) dibromopalladium

• ChemBase ID: 295070
• Molecular Formular: C22H36Br2FeP2Pd
• Molecular Mass: 684.541762
• Monoisotopic Mass: 681.90432191
• SMILES: C(C)(C)P(C1=C[CH-]C=C1)C(C)C.C1(=C[CH-]C=C1)P(C(C)C)C(C)C.[Fe+2].[Pd](Br)Br
• Canonical SMILES: CC(P(C1=C[CH-]C=C1)C(C)C)C.CC(P(C1=C[CH-]C=C1)C(C)C)C.Br[Pd]Br.[Fe+2]
• InChI: InChI=1S/2C11H18P.2BrH.Fe.Pd/c2*1-9(2)12(10(3)4)11-7-5-6-8-11;;;;/h2*5-10H,1-4H3;2*1H;;/q2*-1;;;2*+2/p-2
• InChIKey: WRFVJODHOJEWTD-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: λ^2-iron(2+) ion bis(3-[bis(propan-2-yl)phosphanyl]cyclopenta-2,4-dien-1-ide) dibromopalladium
• IUPAC Traditional name: λ^2-iron(2+) ion bis(3-(diisopropylphosphanyl)cyclopenta-2,4-dien-1-ide) dibromopalladium
• Synonyms: PdBr2(dippf); [1,1'-Bis(diisopropylphosphino)ferrocene]dibromopalladium(II); Dibromo[1,1'-bis(diisopropylphosphino)ferrocene]palladium(II)

Database IDs

• CAS Number: 1154043-20-5
• PubChem SID: 180680601
• PubChem CID: 73994981

CALCULATED PROPERTIES

• Acid pKa: 15.972416
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.794616
• LogD (pH = 7.4): 1.8679593
• Log P: 3.6708
• Molar Refractivity: 55.9611 cm^3
• Polarizability: 22.514492 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 15.5%