[2-(diphenylphosphanyl)ethyl]diphenylphosphane; dichlorocobalt

• ChemBase ID: 144986
• Molecular Formular: C26H24Cl2CoP2
• Molecular Mass: 528.255482
• Monoisotopic Mass: 527.00622439
• SMILES: c1ccc(cc1)P(CCP(c1ccccc1)c1ccccc1)c1ccccc1.Cl[Co]Cl
• Canonical SMILES: c1ccc(cc1)P(c1ccccc1)CCP(c1ccccc1)c1ccccc1.Cl[Co]Cl
• InChI: InChI=1S/C26H24P2.2ClH.Co/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;;;/h1-20H,21-22H2;2*1H;/q;;;+2/p-2
• InChIKey: SYTWXWRJCLAZFP-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(diphenylphosphanyl)ethyl]diphenylphosphane; dichlorocobalt
• IUPAC Traditional name: cobalt(II) chloride; diphos
• Synonyms: Dichloro[ethylenebis[diphenylphosphine]]cobalt; [1,2-Bis(diphenylphosphino)ethane]dichlorocobalt(II); [1,2-双(二苯基膦)乙烷]二氯化钴(II)

Database IDs

• CAS Number: 18498-01-6
• MDL Number: MFCD00134173
• PubChem SID: 162239197; 24862150
• PubChem CID: 11005917

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.8128
• LogD (pH = 7.4): 6.8128
• Log P: 6.8128
• Molar Refractivity: 121.8328 cm^3
• Polarizability: 48.36459 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 260 °C (dec.)(lit.)

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 20/21/22-36/37/38
• Safety Statements: 26-37/39
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H312-H315-H319-H332-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Linear Formula: [(C6H5)2PCH2CH2P(C6H5)2]CoCl2

DETAILS

Sigma Aldrich - 360147

Packaging
1, 5 g in glass bottle
Application
Catalyst for:
• Regio- and stereoselective intermolecular enyne coupling1
• Cross-coupling reactions of alkyl halides with aryl Grignard reagents2
• Hydrovinylation of styrene3
• Tandem radical cyclization and cross-coupling4
• Dimethylation and hydrodechlorination5
• Addition reactions6