Tris(dibenzylideneacetone)dipalladium(0), Chloroform adduct

Basic Information

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CAS Number

52522-40-4

Molecular Formula

C52H43Cl3O3Pd2

Molecular Weight

1035.11 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

131-135 °C

Water Solubility

Soluble in organic solvents. Insoluble in water.

Flash Point

176.2℃

SMILES

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C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2.C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2.C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2.C(Cl)(Cl)Cl.[Pd].[Pd]

InChI

InChI=1S/3C17H14O.CHCl3.2Pd/c3*18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16;2-1(3)4;;/h3*1-14H;1H;;/b3*13-11+,14-12+;;;

InChIKey

LNAMMBFJMYMQTO-FNEBRGMMSA-N

LogP

13.928299999999977

Topological Polar Surface Area

51.21 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

280

Safety Information

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GHS Hazard Pictograms

H302

H315

H351

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H351 Suspected of causing cancer
Carcinogenicity

Sensitiveness

Air & Moisture Sensitive

Synonyms & References

English

Tris DBA chloroform adduct
TRIS(DIBENZYLIDENEACETONE)DIPALLADIUM(0)-CHLOROFORM
tris(dibenzylideneacetone) dipalladium chloroform
tris(dibenzylideneacetone)dipalladium-chloroform
Pd2 dba3 CHCl3
tris(dibenzylideneacetone)(chloroform)-di-palladium(0)
Pd2(dba)3 . CHCl3
Pd2 (dba) 3 CHCl3
Tris(dibenylideneacetone)dipalladium-chloroform
LS-0003
PD2(DBA)3 CHCL3
52522-40-4
Pd2(dba)3 chloroform
Pd2dba3 CHCl3
tris(dibenzylideneacetone)dipalladium chloroform
Pd2(dba)3⋅CHCl3
AC-4987
chloroform;(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;palladium
AMY39400
LNAMMBFJMYMQTO-FNEBRGMMSA-N
DTXSID40452403
BCP22522
F10006
Pd2(dba)3.CHCl3
tris(dibenzylideneacetone)-dipalladium chloroform
AKOS015900276
MFCD00075479
Tris(dibenzylideneacetone)dipalladium (0) chloroform adduct
Dipalladiumtris(dibenzylideneacetone) chloroform adduct
Dipalladium(0)tris(dibenzylideneacetone)-chloroform adduct
Tris(dibenzylideneacetone)dipalladium(0)-chloroform adduct

MDL Number

MFCD00075479

FAQ

What is Tris(dibenzylideneacetone)dipalladium(0), Chloroform adduct (CAS: 52522-40-4)?

Tris(dibenzylideneacetone)dipalladium(0), Chloroform adduct (CAS: 52522-40-4) is a coordination complex composed of two palladium atoms in zero oxidation state, three dibenzylideneacetone ligands, and a chloroform molecule. It is a yellow solid with high thermal stability and is commonly used as a catalyst in organic synthesis due to its ability to facilitate carbon-carbon bond formation.

What are the main uses of Tris(dibenzylideneacetone)dipalladium(0), Chloroform adduct (CAS: 52522-40-4)?

This compound is primarily used in catalytic applications, particularly in cross-coupling reactions such as the Suzuki and Heck reactions. It also serves as a precursor in pharmaceutical research for drug development and is employed in materials science to synthesize conductive polymers and nanomaterials. Its role in homogeneous catalysis makes it valuable in industrial chemical processes.

Is Tris(dibenzylideneacetone)dipalladium(0), Chloroform adduct (CAS: 52522-40-4) safe?

Tris(dibenzylideneacetone)dipalladium(0), Chloroform adduct (CAS: 52522-40-4) is considered hazardous due to its potential toxicity. Handling should be done with proper protective equipment, including gloves and a fume hood. Safety standards such as OSHA and GHS guidelines recommend avoiding inhalation, skin contact, and ingestion, and ensuring adequate ventilation during use.

How should Tris(dibenzylideneacetone)dipalladium(0), Chloroform adduct (CAS: 52522-40-4) be stored?

Store Tris(dibenzylideneacetone)dipalladium(0), Chloroform adduct (CAS: 52522-40-4) in a sealed, airtight container at 2-8°C in a cool, dry place away from light. Maintain low humidity levels and avoid exposure to air or moisture to preserve stability. Ensure storage in a well-ventilated area to prevent potential hazards associated with its chemical properties.