palladium(2+) ion dichloride

• ChemBase ID: 64298
• Molecular Formular: Cl2Pd
• Molecular Mass: 177.326
• Monoisotopic Mass: 175.84119136
• SMILES: [Cl-].[Cl-].[Pd+2]
• Canonical SMILES: [Cl-].[Cl-].[Pd+2]
• InChI: InChI=1S/2ClH.Pd/h2*1H;/q;;+2/p-2
• InChIKey: PIBWKRNGBLPSSY-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: palladium(2+) ion dichloride
• IUPAC Traditional name: palladium(2+) ion dichloride
• Synonyms: Palladium (II) chloride; Palladium(II) chloride; Palladium(II) chloride, solution; Palladium(II) chloride, Premion®; 氯化钯(II); 氯化钯(II)溶液; 氯化钯(II), Premion®

Database IDs

• CAS Number: 7647-10-1
• EC Number: 231-596-2
• MDL Number: MFCD00003558
• Merck Index: 146990
• PubChem SID: 162030037
• PubChem CID: 9794021

CALCULATED PROPERTIES

• Acid pKa: -7.0
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 0.8327582
• LogD (pH = 7.4): 0.8327582
• Log P: 0.6123387
• Molar Refractivity: 5.6156 cm^3
• Polarizability: 2.1090326 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Soluble in dilute mineral acids, aqueous metal halides
• Apperance: Crystalline; Liquid; Powder
• Melting Point: 675°C dec.
• Density: 4.0

Safety Information

• Storage Warning: IRRITANT
• RTECS: RT3500000
• European Hazard Symbols: Corrosive (C); Irritant (Xi)
• UN Number: UN3260; UN3264
• Hazard Class: 8
• Packing Group: III
• Risk Statements: 34-43; 41-43
• Safety Statements: 20-23-26-36/37/39-45-60; 24-26-37/39-60
• TSCA Listed: false; 是
• GHS Pictograms: GHS05; GHS06; GHS07
• GHS Hazard statements: H311-H319-H314-H290-H303; H314-H290-H317; H314-H318-H290-H317-H303
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A; P260-P303+P361+P353-P305+P351+P338-P361-P405-P501A

Product Information

• Purity: 99%; 99.9% (metals basis), Pd 59.5% min; 99.999% (metals basis), Pd 59.5% min; Pd 20-25% w/w (cont. Pd); Pd 9.0-11.0% w/w (cont. Pd)

REFERENCES

• In combination with benzoquinone as reoxidant, N-methylarylamines add to Michael acceptors to give enamines: J. Org. Chem., 46, 2561 (1981).
• Terminal olefins can be oxygenated to ketones using a Cu(I) catalyst in the presence of a catalytic amount of PdCl₂ (the Wacker process): Org. Synth. Coll., 7, 137 (1990). For an example in which the product is readily cyclized to give a useful terpenoid synthon, see: Org. Synth. Coll., 8, 208 (1993):
  
• In the presence of triphenylphosphine and MeLi, a Pd(0) species is generated which catalyzes the coupling of organolithium reagents with aryl or vinyl halides. For tabulated results, see: Org. Synth. Coll., 7, 172 (1990):
  
• For use in the microwave accelerated Heck coupling reaction of aryl halides in the ionic liquid 1-n-Butyl-3-methylimidazolium hexafluorophosphate, L19086, see: J. Org. Chem., 67, 6243 (2002).