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

• ChemBase ID: 142948
• Molecular Formular: C22H36Cl2FeP2Pd
• Molecular Mass: 595.639762
• Monoisotopic Mass: 594.00535327
• SMILES: CC(C)P(C1=C[CH-]C=C1)C(C)C.CC(C)P(C1=C[CH-]C=C1)C(C)C.Cl[Pd]Cl.[Fe+2]
• Canonical SMILES: CC(P(C1=C[CH-]C=C1)C(C)C)C.CC(P(C1=C[CH-]C=C1)C(C)C)C.Cl[Pd]Cl.[Fe+2]
• InChI: InChI=1S/2C11H18P.2ClH.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: RHVVTGGRURQJSR-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) dichloropalladium
• IUPAC Traditional name: λ^2-iron(2+) ion bis(3-(diisopropylphosphanyl)cyclopenta-2,4-dien-1-ide) palladium chloride
• Synonyms: PdCl2(dippf); 1,1′-Bis(di-isopropylphosphino)ferrocene palladium dichloride; 1,1′-双(二异丙基膦基)二茂铁二氯化钯

Database IDs

• CAS Number: 215788-65-1
• MDL Number: MFCD11656082
• PubChem SID: 162237174
• PubChem CID: 71310827

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

• Melting Point: 282-287 °C

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: -20°C

Product Information

• Purity: 98%
• Empirical Formula (Hill Notation): C22H36Cl2FeP2Pd

DETAILS

Sigma Aldrich - 702005

Packaging
1 g in glass bottle
250 mg in glass bottle
Legal Information
Sold in collaboration with Johnson Matthey Catalyst for research purposes only.