palladium(2+) ion tetrakis(acetonitrile) bis(tetrafluoroboranuide)

• ChemBase ID: 151479
• Molecular Formular: C8H12B2F8N4Pd
• Molecular Mass: 444.2369056
• Monoisotopic Mass: 444.01551896
• SMILES: [B-](F)(F)(F)F.[B-](F)(F)(F)F.CC#N.CC#N.CC#N.CC#N.[Pd+2]
• Canonical SMILES: F[B-](F)(F)F.F[B-](F)(F)F.CC#N.CC#N.CC#N.CC#N.[Pd+2]
• InChI: InChI=1S/4C2H3N.2BF4.Pd/c4*1-2-3;2*2-1(3,4)5;/h4*1H3;;;/q;;;;2*-1;+2
• InChIKey: YWMRPVUMBTVUEX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: palladium(2+) ion tetrakis(acetonitrile) bis(tetrafluoroboranuide)
• IUPAC Traditional name: palladium(2+) ion tetrakis(acetonitrile) ditetrafluoroborate
• Synonyms: NSC 307191; Palladium(II) tetrafluoroborate tetraacetonitrile complex; Tetrakis(acetonitrile)palladium(II) tetrafluoroborate; 四氟硼酸钯(II)-四乙腈复合物; 四(乙腈)四氟硼酸钯(II)

Database IDs

• CAS Number: 21797-13-7
• MDL Number: MFCD00043297
• PubChem SID: 24860675; 162245632
• PubChem CID: 2734560

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -1.13
• LogD (pH = 7.4): -1.13
• Log P: -1.13
• Molar Refractivity: 6.0052 cm^3
• Polarizability: 3.1085358 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Soluble in water
• Apperance: Powder
• Melting Point: 230 °C (dec.)(lit.); 230°C dec.

Safety Information

• Storage Warning: Air Sensitive
• European Hazard Symbols: X; Harmful (Xn)
• UN Number: UN2811
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 20; 20/21/22
• Safety Statements: 22-36/37/39-38; 9-36/37-60
• TSCA Listed: 否
• GHS Pictograms: GHS06; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H331-H302-H312; H332
• GHS Precautionary statements: P261-P280-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: Pd 23.9%
• Linear Formula: Pd(CH3CN)4(BF4)2

DETAILS

Sigma Aldrich - 339768

Application
Catalyst used in cross coupling reaction for C-C, C-O, and C-N bond formation.
Application Guide for Palladium Catalyzed Cross-Coupling ReactionsReactant involved in:
• Reactions where it plays a role as the metal source due to weakly coordinated acetonitrile ligands1Precursor for:
• Synthesis of dendritic SCS-pincer palladium complexes2
• Palladium complexes of click ligands3,4
• Dipalladium catalysts for use in Heck cross-coupling5, Suzuki cross-coupling, and aldehyde olefination6
Packaging
1 g in glass bottle
250 mg in glass bottle