Bis(benzonitrile)palladium(II) bromide

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Molecular Formula:

2(C6H5CN) · PdBr2

Molecular Weight:

472.47

CAS Number:

15003-43-7

Catalog Number:

15003-43-7

Product Information

Molecular Formula:

2(C6H5CN) · PdBr2

Molecular Weight:

472.47

Description

Bis(benzonitrile)palladium(II) bromide is widely used in the biomedical industry as a palladium catalyst for various transformations, including cross-coupling reactions. It exhibits excellent efficiency in Suzuki-Miyaura, Stille, and Heck reactions, enabling the synthesis of diverse pharmaceuticals, agrochemicals, and advanced organic materials.

Synonyms

Bis(benzonitrile)dibromopalladium(II)

IUPAC Name

benzonitriledibromopalladium

Canonical SMILES

C1=CC=C(C=C1)C#N.C1=CC=C(C=C1)C#N.Br[Pd]Br

InChI

InChI=1S/2C7H5N.2BrH.Pd/c2*8-6-7-4-2-1-3-5-7/h2*1-5H2*1H/q+2/p-2

InChI Key

OKDHIPXOBPPHTG-UHFFFAOYSA-L

Melting Point

95-102 °C

Flash Point

Not applicable

Purity

95%

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

471.82250 g/mol

Monoisotopic Mass

469.82455 g/mol

Topological Polar Surface Area

47.6Å²

Heavy Atom Count

Formal Charge

Complexity

106

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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Bis(benzonitrile)palladium(II) bromide

Product Information

Computed Properties

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