dichloropalladium; bis(tricyclohexylphosphane)

• ChemBase ID: 147605
• Molecular Formular: C36H66Cl2P2Pd
• Molecular Mass: 738.182762
• Monoisotopic Mass: 736.30516673
• SMILES: C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cl[Pd]Cl
• Canonical SMILES: C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cl[Pd]Cl
• InChI: InChI=1S/2C18H33P.2ClH.Pd/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;/h2*16-18H,1-15H2;2*1H;/q;;;;+2/p-2
• InChIKey: VUYVXCJTTQJVKJ-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: dichloropalladium; bis(tricyclohexylphosphane)
• IUPAC Traditional name: palladium chloride; bis(tricyclohexylphosphine)
• Synonyms: PdCl2[P(cy)3]2; Dichlorobis(tricyclohexylphosphine)palladium(II); 双(三环己基膦)二氯化钯; 双(三环己基膦)二氯化钯(II)

Database IDs

• CAS Number: 29934-17-6
• MDL Number: MFCD00191830
• PubChem SID: 162241792; 24864894
• PubChem CID: 11050900

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.93183
• LogD (pH = 7.4): 4.931908
• Log P: 5.1701
• Molar Refractivity: 89.9952 cm^3
• Polarizability: 34.44912 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: Powder
• Melting Point: 270 °C (dec.)(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 95%; Pd 14.4%
• Linear Formula: [(C6H11)3P]2PdCl2

DETAILS

Sigma Aldrich - 403237

Application
Catalyst for C-C and C-N coupling reaction.
Application Guide for Palladium Catalyzed Cross-Coupling Reactions
Packaging
1, 5 g in glass bottle

REFERENCES

• Catalyzes the efficient Pd-catalyzed Heck coupling of aryl chlorides with alkenes, in the presence of cesium carbonate; the corresponding triphenylphosphine complex is ineffective: Tetrahedron Lett., 47, 2573 (2006).