dibromopalladium; bis(triphenylphosphane)

• ChemBase ID: 151885
• Molecular Formular: C36H30Br2P2Pd
• Molecular Mass: 790.798922
• Monoisotopic Mass: 787.92243422
• SMILES: c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.Br[Pd]Br
• Canonical SMILES: c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.Br[Pd]Br
• InChI: InChI=1S/2C18H15P.2BrH.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*1-15H;2*1H;/q;;;;+2/p-2
• InChIKey: MCSDDEAMPOYJJI-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: dibromopalladium; bis(triphenylphosphane)
• IUPAC Traditional name: dibromopalladium; bis(triphenylphosphine)
• Synonyms: trans-Dibromobis(triphenylphosphine)palladium(II); 反式双(三苯基膦)二氯溴钯(II)

Database IDs

• CAS Number: 22180-53-6
• MDL Number: MFCD00134175
• PubChem SID: 24862152; 162246031
• PubChem CID: 11104744

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

Safety Information

• German water hazard class: 3

Product Information

• Purity: 95%
• Linear Formula: [(C6H5)3P]2PdBr2

DETAILS

Sigma Aldrich - 360163

Packaging
1, 5 g in glass bottle
Application
Catalyst for:
• Equilibrium palladation of alkanes and arenes and functionalization of hydrocarbons1Reactant for:
• Homocoupling reactions induced by P-C reductive elimination2
• Preparation of palladium imidazolylidene complexes via Suzuki coupling reactions3