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Bis[di-(tert-butyl)(4-trifluoromethylphenyl)phosphine]palladium(II) chloride

Bis[di-(tert-butyl)(4-trifluoromethylphenyl)phosphine]palladium(II) chloride

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Molecular Formula:

C30H44Cl2F6P2Pd

Molecular Weight:

757.93

CAS Number:

887919-36-0

Catalog Number:

887919-36-0

Product Information

Molecular Formula:

C30H44Cl2F6P2Pd

Molecular Weight:

757.93

Description

Catalyst for Suzuki Coupling reaction of heteroaryl chlorides

Synonyms

Bis[di-(tert-butyl)(4-trifluoromethylphenyl)phosphine]palladium(II) chloride; ditert-butyl-[4-(trifluoromethyl)phenyl]phosphane; palladium(2+); dichloride

IUPAC Name

ditert-butyl-[4-(trifluoromethyl)phenyl]phosphanepalladium(2+)dichloride

Canonical SMILES

CC(C)(C)P(C1=CC=C(C=C1)C(F)(F)F)C(C)(C)C.CC(C)(C)P(C1=CC=C(C=C1)C(F)(F)F)C(C)(C)C.[Cl-].[Cl-].[Pd+2]

InChI

InChI=1S/2C15H22F3P.2ClH.Pd/c2*1-13(2,3)19(14(4,5)6)12-9-7-11(8-10-12)15(16,17)18/h2*7-10H,1-6H32*1H/q+2/p-2

InChI Key

ATVRGWRBZLLSJD-UHFFFAOYSA-L

Melting Point

230 °C (D)

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

756.12343 g/mol

Monoisotopic Mass

756.12343 g/mol

Topological Polar Surface Area

0Å²

Heavy Atom Count

Formal Charge

Complexity

274

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[di-(tert-butyl)(4-trifluoromethylphenyl)phosphine]palladium(II) chloride

Product Information

Safety Information

Computed Properties

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