λ2-iron(2+) ion bis(3-(diphenylphosphanyl)cyclopenta-2,4-dien-1-ide) dichlorocobalt

• ChemBase ID: 144775
• Molecular Formular: C34H28Cl2CoFeP2
• Molecular Mass: 684.217842
• Monoisotopic Mass: 682.97246202
• SMILES: c1ccc(cc1)P(c1ccccc1)C1=C[CH-]C=C1.c1ccc(cc1)P(c1ccccc1)C1=C[CH-]C=C1.Cl[Co]Cl.[Fe+2]
• Canonical SMILES: c1ccc(cc1)P(c1ccccc1)C1=C[CH-]C=C1.c1ccc(cc1)P(c1ccccc1)C1=C[CH-]C=C1.Cl[Co]Cl.[Fe+2]
• InChI: InChI=1S/2C17H14P.2ClH.Co.Fe/c2*1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;;;;/h2*1-14H;2*1H;;/q2*-1;;;2*+2/p-2
• InChIKey: NLCBUHMLTVFFMZ-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: λ^2-iron(2+) ion bis(3-(diphenylphosphanyl)cyclopenta-2,4-dien-1-ide) dichlorocobalt
• IUPAC Traditional name: λ^2-iron(2+) ion bis(3-(diphenylphosphanyl)cyclopenta-2,4-dien-1-ide) cobalt(II) chloride
• Synonyms: Co(dppf)Cl2; Dichloro[ferrocene-1,1′-diylbis(diphenylphosphine-P)]cobalt(II); [1,1′-Bis(diphenylphosphino)ferrocene]dichlorocobalt(II); [1,1′-双(二苯基膦)二茂铁]二氯化钴(II)

Database IDs

• CAS Number: 67292-36-8
• MDL Number: MFCD03427161
• PubChem SID: 24879173; 162238987
• PubChem CID: 71311123

CALCULATED PROPERTIES

• Lipinski's Rule of Five: false
• Acid pKa: 13.124334
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.7805
• LogD (pH = 7.4): 3.7804992
• Log P: 5.308
• Molar Refractivity: 77.2799 cm^3
• Polarizability: 30.728716 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 6

PROPERTIES

Physical Property

• Melting Point: 224 °C (dec.)(lit.)

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 97%
• Linear Formula: Cl2Co(P(C6H5)2C5H4)2Fe

DETAILS

Sigma Aldrich - 555134

Packaging
1 g in glass bottle
Application
Reactant for synthesis of homoleptic complexes of cobalt(0) and nickel(0)1Catalyst for Heck-type reactions of 6-halo-1-hexene derivatives2