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Dichloro (2,2'-bis(diphenylphosphino)-1,1'-binaphthyly)palladium (II)

Dichloro (2,2'-bis(diphenylphosphino)-1,1'-binaphthyly)palladium (II)

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Molecular Formula:

C44H32Cl2P2Pd

Molecular Weight:

800.00

CAS Number:

253157-79-8

Catalog Number:

253157-79-8

Product Information

Molecular Formula:

C44H32Cl2P2Pd

Molecular Weight:

800.00

Description

Versatile palladium catalyst for cross-coupling reactions

Synonyms

BINAP-PdCl2

IUPAC Name

[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphanepalladium(2+)dichloride

Canonical SMILES

C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=C(C4=CC=CC=C4C=C3)C5=C(C=CC6=CC=CC=C65)P(C7=CC=CC=C7)C8=CC=CC=C8.[Cl-].[Cl-].[Pd+2]

InChI

InChI=1S/C44H32P2.2ClH.Pd/c1-5-19-35(20-6-1)45(36-21-7-2-8-22-36)41-31-29-33-17-13-15-27-39(33)43(41)44-40-28-16-14-18-34(40)30-32-42(44)46(37-23-9-3-10-24-37)38-25-11-4-12-26-38/h1-32H2*1H/q+2/p-2

InChI Key

VDHAUMFISVWIRX-UHFFFAOYSA-L

Melting Point

230-300 °C (decomposition)

Flash Point

Not applicable

Purity

97%

Safety Information

Hazards

H302 + H312 + H332 - H315 - H319 - H335

Precautionary Statement

P280 - P301 + P312 + P330 - P302 + P352 + P312 - P304 + P340 + P312 - P305 + P351 + P338

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

798.03911 g/mol

Monoisotopic Mass

798.03911 g/mol

Topological Polar Surface Area

0Å²

Heavy Atom Count

Formal Charge

Complexity

797

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 (2,2'-bis(diphenylphosphino)-1,1'-binaphthyly)palladium (II)

Product Information

Safety Information

Computed Properties

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