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Di--chlorobis[5-chloro-2-[(4-chlorophenyl)(hydroxyimino-N)methyl]phenyl-C]palladium dimer

Di--chlorobis[5-chloro-2-[(4-chlorophenyl)(hydroxyimino-N)methyl]phenyl-C]palladium dimer

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Molecular Formula:

C26H16Cl6N2O2Pd2

Molecular Weight:

813.98

CAS Number:

287410-78-0

Catalog Number:

287410-78-0

Product Information

Molecular Formula:

C26H16Cl6N2O2Pd2

Molecular Weight:

813.98

Description

Catalyst for:• Suzuki coupling• Suzuki-Miyaura coupling• Najera palladacycle-catalyzed intermolecular Heck reaction of Morita-Baylis-Hillman adducts• Hiyama cross-coupling• Palladium-catalyzed acylation of terminal alkynes with acid chlorides• Copper and amine free Sonogashira coupling reaction
Highly effective catalyst for multiple aryl vinylation via Heck coupling. Palladacycle catalyst employed in a variety of carbon-carbon bond forming reactions.

Synonyms

Di-chlorobis[5-chloro-2-[(4-chlorophenyl)(hydroxyimino)methyl]phenyl-C]di-palladium; Nájera Catalyst I

IUPAC Name

(NZ)-N-[(4-chlorobenzene-6-id-1-yl)-(4-chlorophenyl)methylidene]hydroxylaminedichloroniopalladiumpalladium

Canonical SMILES

C1=CC(=CC=C1C(=NO)C2=[C-]C=C(C=C2)Cl)Cl.C1=CC(=CC=C1C(=NO)C2=[C-]C=C(C=C2)Cl)Cl.[ClH+][Pd][ClH+].[Pd]

InChI

InChI=1S/2C13H8Cl2NO.2ClH.2Pd/c2*14-11-5-1-9(2-6-11)13(16-17)10-3-7-12(15)8-4-10/h2*1-3,5-8,17H2*1H/q2*-1+2/b2*16-13+

InChI Key

QPUPWYGEQHWYOF-VAABLSLRSA-N

Flash Point

Not applicable

Purity

97%

Safety Information

Hazards

H302 + H312 + H332

Precautionary Statement

P280 - P301 + P312 + P330 - P302 + P352 + P312 - P304 + P340 + P312

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

815.75437 g/mol

Monoisotopic Mass

811.75690 g/mol

Topological Polar Surface Area

65.2Å²

Heavy Atom Count

Formal Charge

Complexity

914

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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Di--chlorobis[5-chloro-2-[(4-chlorophenyl)(hydroxyimino-N)methyl]phenyl-C]palladium dimer

Product Information

Safety Information

Computed Properties

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