bis(acetonitrile); dichloropalladium

• ChemBase ID: 148959
• Molecular Formular: C4H6Cl2N2Pd
• Molecular Mass: 259.42984
• Monoisotopic Mass: 257.89428956
• SMILES: CC#N.CC#N.Cl[Pd]Cl
• Canonical SMILES: CC#N.CC#N.Cl[Pd]Cl
• InChI: InChI=1S/2C2H3N.2ClH.Pd/c2*1-2-3;;;/h2*1H3;2*1H;/q;;;;+2/p-2
• InChIKey: RBYGDVHOECIAFC-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(acetonitrile); dichloropalladium
• IUPAC Traditional name: bis(acetonitrile); palladium chloride
• Synonyms: Palladium(II) chloride diacetonitrile complex; Bis(acetonitrile)dichloropalladium(II); 氯化钯(II)二乙腈络合物; 双(乙腈)二氯钯(II)

Database IDs

• CAS Number: 14592-56-4
• EC Number: 238-637-3
• MDL Number: MFCD00013122
• PubChem SID: 162243129; 24868266; 24853511
• PubChem CID: 6093782

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -0.16539685
• LogD (pH = 7.4): -0.16539685
• Log P: -0.16539685
• Molar Refractivity: 11.623 cm^3
• Polarizability: 4.2592 Å^3
• Polar Surface Area: 23.79 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Toxic (T)
• UN Number: 3077
• German water hazard class: 3
• Hazard Class: 9
• Packing Group: 3
• Risk Statements: 23/24/25
• Safety Statements: 16-27-36/37-45
• GHS Pictograms: GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H311-H331
• GHS Precautionary statements: P261-P280-P301 + P310-P311
• Personal Protective Equipment: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 3077 9/PG 3

Product Information

• Purity: 99%; 99.99%
• Linear Formula: PdCl2 · (CH3CN)2

DETAILS

Sigma Aldrich - 225657

Application
Catalyst used in an ether-directed aza-Claisen rearrangement.1
Application Guide for Palladium Catalyzed Cross-Coupling Reactions
Packaging
5 g in glass bottle
500 mg in glass bottle

Sigma Aldrich - 446319

Packaging
1 g in glass bottle
250 mg in glass bottle
Application
Application Guide for Palladium Catalyzed Cross-Coupling Reactions