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1,1-Bis(tri-orthotolylphosphine)palladium(II) dibromide

1,1-Bis(tri-orthotolylphosphine)palladium(II) dibromide

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Molecular Formula:

MFCD09953447

Molecular Weight:

874.98

CAS Number:

24554-43-6

Catalog Number:

24554-43-6

Product Information

Molecular Formula:

MFCD09953447

Molecular Weight:

874.98

Description

1,1-Bis(tri-orthotolylphosphine)palladium(II) dibromide, a customary catalytic agent found in Suzuki-Miyaura cross-coupling reactions, occupies a pivotal position in the creation of various pharmaceutical substances.

Synonyms

Pd-120

IUPAC Name

dibromopalladiumtris(2-methylphenyl)phosphane

Canonical SMILES

CC1=CC=CC=C1P(C2=CC=CC=C2C)C3=CC=CC=C3C.CC1=CC=CC=C1P(C2=CC=CC=C2C)C3=CC=CC=C3C.Br[Pd]Br

InChI

InChI=1S/2C21H21P.2BrH.Pd/c2*1-16-10-4-7-13-19(16)22(20-14-8-5-11-17(20)2)21-15-9-6-12-18(21)3/h2*4-15H,1-3H32*1H/q+2/p-2

InChI Key

FKGDXSRZWBHNIC-UHFFFAOYSA-L

Melting Point

300-305 °C

Flash Point

Not applicable

Purity

97%

Safety Information

Hazards

H315 - H319 - H335

Precautionary Statement

P261 - P305 + P351 + P338

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

874.01428 g/mol

Monoisotopic Mass

872.01633 g/mol

Topological Polar Surface Area

0Å²

Heavy Atom Count

Formal Charge

Complexity

289

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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1,1-Bis(tri-orthotolylphosphine)palladium(II) dibromide

Product Information

Safety Information

Computed Properties

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