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Dichloro[9,9-dimethyl-4,5-bis(diphenylphosphino)xanthene]palladium(II)

Dichloro[9,9-dimethyl-4,5-bis(diphenylphosphino)xanthene]palladium(II)

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Molecular Formula:

PdCl2(C39H32OP2)

Molecular Weight:

755.94

CAS Number:

205319-10-4

Catalog Number:

205319-10-4

Product Information

Molecular Formula:

PdCl2(C39H32OP2)

Molecular Weight:

755.94

Description

Effective catalyst for carbonylation of aryl halides

Synonyms

dichloropalladium; (5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)-diphenylphosphane; DICHLORO[9,9-DIMETHYL-4,5-BIS(DIPHENYLPHOSPHINO)XANTHENE]PALLADIUM(II); 205319-10-4; SCHEMBL12466735; AKOS024462646

IUPAC Name

dichloropalladium(5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)-diphenylphosphane

Canonical SMILES

CC1(C2=C(C(=CC=C2)P(C3=CC=CC=C3)C4=CC=CC=C4)OC5=C1C=CC=C5P(C6=CC=CC=C6)C7=CC=CC=C7)C.Cl[Pd]Cl

InChI

InChI=1S/C39H32OP2.2ClH.Pd/c1-39(2)33-25-15-27-35(41(29-17-7-3-8-18-29)30-19-9-4-10-20-30)37(33)40-38-34(39)26-16-28-36(38)42(31-21-11-5-12-22-31)32-23-13-6-14-24-32;;;/h3-28H,1-2H3;2*1H;/q;;;+2/p-2

InChI Key

HEYONDYPXIUDCK-UHFFFAOYSA-L

Melting Point

280-287 °C (decomposition)

Flash Point

Not applicable

Purity

95%

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

754.03403 g/mol

Monoisotopic Mass

754.03403 g/mol

Topological Polar Surface Area

9.2Å²

Heavy Atom Count

Formal Charge

Complexity

734

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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Dichloro[9,9-dimethyl-4,5-bis(diphenylphosphino)xanthene]palladium(II)

Product Information

Computed Properties

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