dichloropalladium; bis(methyldiphenylphosphane)

• ChemBase ID: 148270
• Molecular Formular: C26H26Cl2P2Pd
• Molecular Mass: 577.758162
• Monoisotopic Mass: 575.99216545
• SMILES: CP(c1ccccc1)c1ccccc1.CP(c1ccccc1)c1ccccc1.Cl[Pd]Cl
• Canonical SMILES: CP(c1ccccc1)c1ccccc1.CP(c1ccccc1)c1ccccc1.Cl[Pd]Cl
• InChI: InChI=1S/2C13H13P.2ClH.Pd/c2*1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;;;/h2*2-11H,1H3;2*1H;/q;;;;+2/p-2
• InChIKey: GTSFBKGHQLDFHU-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: dichloropalladium; bis(methyldiphenylphosphane)
• IUPAC Traditional name: bis(methyldiphenylphosphane); palladium chloride
• Synonyms: NSC 148042; Dichlorobis(methyldiphenylphosphine)palladium(II); 双(甲基二苯膦)二氯化钯(II)

Database IDs

• CAS Number: 52611-08-2
• MDL Number: MFCD00216594
• PubChem SID: 24867052; 162242446
• PubChem CID: 6102084

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.7474
• LogD (pH = 7.4): 3.7474
• Log P: 3.7474
• Molar Refractivity: 61.6977 cm^3
• Polarizability: 24.55536 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

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

Product Information

• Purity: 97%
• Linear Formula: [(C6H5)2PCH3]2PdCl2

DETAILS

Sigma Aldrich - 431885

Packaging
1, 5 g in glass bottle
Application
Catalyst for:
• Ullmann reactions (homocoupling reactions)1
• Cross coupling reaction of tributyltin hydride with aryl iodides2
• Double silylation3, double carbonylation4 and cyclocarbonylation reactions5