Palladium(II) trifluoroacetate

Inquiry

Molecular Formula:

Pd(O2CCF3)2

Molecular Weight:

332.45

CAS Number:

42196-31-6

Catalog Number:

42196-31-6

Product Information

Molecular Formula:

Pd(O2CCF3)2

Molecular Weight:

332.45

Description

Application Guide for Palladium Catalyzed Cross-Coupling Reactions
Catalyst used for the mild decarboxylation of electron-rich aromatic acids and the direct cross-coupling of unactivated arenes.
Catalyzes the selective allylic oxidation of geranylacetone and other olefins to their allyl acetates, which can then be converted to keto alcohols.

Synonyms

PALLADIUM TRIFLUOROACETATE; PALLADIUM(II) TRIFLUOROACETATE; TRIFLUOROACETIC ACID PALLADIUM(II) SALT; 2,7-DICHLORO-9-FLUORENONE, TECH., 90%; PALLADIUM (II) TRIFLUOROACETATE 97+%; Palladium(II) trifluoroacetate, 99+%

IUPAC Name

palladium(2+)2,2,2-trifluoroacetate

Canonical SMILES

C(=O)(C(F)(F)F)[O-].C(=O)(C(F)(F)F)[O-].[Pd+2]

InChI

InChI=1S/2C2HF3O2.Pd/c2*3-2(4,5)1(6)7;/h2*(H,6,7);/q;;+2/p-2

InChI Key

PBDBXAQKXCXZCJ-UHFFFAOYSA-L

Boiling Point

72.2°Cat 760 mmHg

Melting Point

-220°C

Flash Point

Not applicable

Purity

>98.0%(T)

Appearance

Tan to dark brown powder or crystals

Safety Information

Hazards

H315 - H319 - H335

Precautionary Statement

P302 + P352 - P305 + P351 + P338

Signal Word

Warning

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

331.87356 g/mol

Monoisotopic Mass

331.87356 g/mol

Topological Polar Surface Area

80.3Å²

Heavy Atom Count

Formal Charge

Complexity

77.9

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

Patents

Publication Number	Title	Priority Date
KR-20220003875-A	Composition for removing palladium compound and method for removing palladium compound	2020-07-02
WO-2021191359-A1	Monoacylglycerol lipase modulators	2020-03-26
CN-1216091-C	Binitrogen ligand chelated palladium catalyst system and preparation method and application	2003-01-17
US-4598160-A	Intermediate phenolic compounds for the catalytic synthesis of chromans	1983-07-15

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The dilution calculator equation

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This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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