Bis(benzonitrile)palladium(II) chloride

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Molecular Formula:

C14H10Cl2N2Pd

Molecular Weight:

383.57

CAS Number:

14220-64-5

Catalog Number:

14220-64-5

Product Information

Molecular Formula:

C14H10Cl2N2Pd

Molecular Weight:

383.57

Description

Catalyst for greener amine synthesis from terminal olefins by Wacker oxidation followed by transfer hydrogenation of the resultant imine.Formal anti-Markovnikov hydroamination of terminal olefins

Synonyms

PALLADIUM(II) CHLORIDE BIS(BENZONITRILE) COMPLEX; TRANS-DICHLOROBIS-(BENZONITRILO)-PALLADIUM; TRANS-BIS(BENZONITRILE)DICHLOROPALLADATE (II); TRANS-BIS(BENZONITRILE)DICHLOROPALLADIUM(II); BIS(BENZONITRILE)DICHLOROPALLADIUM(II); Bis(benzonitrile)palladium chlor

IUPAC Name

benzonitriledichloropalladium

Canonical SMILES

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

InChI

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

InChI Key

WXNOJTUTEXAZLD-UHFFFAOYSA-L

Boiling Point

191.1°C at 760 mmHg

Melting Point

131°C

Flash Point

Not applicable

Purity

>95.0%(T)

Appearance

Yellow to brown powder

Storage

Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Storage under a nitrogen blanket has been recommended.

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

381.92558 g/mol

Monoisotopic Mass

381.92558 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) chloride

Product Information

Computed Properties

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