dichlorocobalt; bis(triphenylphosphane)

• ChemBase ID: 146352
• Molecular Formular: C36H30Cl2CoP2
• Molecular Mass: 654.410122
• Monoisotopic Mass: 653.05317458
• SMILES: c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.Cl[Co]Cl
• Canonical SMILES: c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.Cl[Co]Cl
• InChI: InChI=1S/2C18H15P.2ClH.Co/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;/h2*1-15H;2*1H;/q;;;;+2/p-2
• InChIKey: OPRPFIIIFJLFCE-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: dichlorocobalt; bis(triphenylphosphane)
• IUPAC Traditional name: cobalt(II) chloride; bis(triphenylphosphine)
• Synonyms: Bis(triphenylphosphine)cobalt dichloride; Dichlorobis(triphenylphosphine)cobalt(II); 双(三苯基膦)氯化钴

Database IDs

• CAS Number: 14126-40-0
• MDL Number: MFCD00010010
• PubChem SID: 162240550; 24855883
• PubChem CID: 6102222

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.1066
• LogD (pH = 7.4): 5.1066
• Log P: 5.1066
• Molar Refractivity: 81.6229 cm^3
• Polarizability: 32.34495 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 236 °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: 98%
• Linear Formula: [(C6H5)3P]2CoCl2

DETAILS

Sigma Aldrich - 262676

Packaging
5 g in glass bottle
Application

• Catalyst in three-component coupling reactions1
• Catalyst for Epoxidation reactions2
• Catalyst in Hydrovinylation of Styrene3
• Catalyst in cross-coupling reactions4
• Catalyst for dimerization reactions5
• Catalyst in oxidation reactions6