Bis(methyldiphenylphosphine)palladium(II) Dichloride - ≥96% , CAS No.52611-08-2

CAS: 52611-08-2 Cat. No.: B152148 Molecular Weight: 577.76 EC Number: 622-929-6 PubChem CID: 6102084

GRADE & PURITY ≥96%

Synonyms

MFCD00216594 | Dichlorobis[methylene-bis(diphenylphosphine)]dipalladium(II) | dichloropalladium;methyl(diphenyl)phosphane | SCHEMBL583107 | Dichlorobis(methyldiphenylphosphine)palladium(II) | Bis(methyldiphenylphosphine)palladium(II) Dichloride | Dichloro

Storage

Room temperature

Shipped In

Normal

Overview

Catalyst for: .Ullmann reactions (homocoupling reactions) .Cross coupling reaction of tributyltin hydride with aryl iodides .Double silylation, double carbonylation and cyclocarbonylation reactions

Specifications

Synonyms

MFCD00216594 | Dichlorobis[methylene-bis(diphenylphosphine)]dipalladium(II) | dichloropalladium;methyl(diphenyl)phosphane | SCHEMBL583107 | Dichlorobis(methyldiphenylphosphine)palladium(II) | Bis(methyldiphenylphosphine)palladium(II) Dichloride | Dichloro

Specifications & Purity

≥96%

Storage

Room temperature

Shipped In

Normal

Purity

≥96%

Names and Identifiers

• Pubchem Sid: 488195682
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488195682
• Canonical Smiles: CP(C1=CC=CC=C1)C2=CC=CC=C2.CP(C1=CC=CC=C1)C2=CC=CC=C2.Cl[Pd]Cl
• IUPAC Name: dichloropalladium;methyl(diphenyl)phosphane
• InChIKey: GTSFBKGHQLDFHU-UHFFFAOYSA-L
• INCHI: 1S/2C13H13P.2ClH.Pd/c2*1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;;;/h2*2-11H,1H3;2*1H;/q;;;;+2/p-2
• Isomeric SMILES: CP(C1=CC=CC=C1)C2=CC=CC=C2.CP(C1=CC=CC=C1)C2=CC=CC=C2.Cl[Pd]Cl
• WGK Germany: 3
• PubChem CID: 6102084
• Molecular Weight: 577.76
• Reaxy-Rn: 17518038

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Organic phosphines and derivatives Organic transition metal salts Hydrocarbon derivatives
• Molecular Framework: Not available
• Substituents: Monocyclic benzene moiety - Phosphine - Organic metal salt - Organic transition metal salt - Hydrocarbon derivative - Organophosphorus compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Molecular Weight: 577.800 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 4
• Exact Mass: 575.992 Da
• Monoisotopic Mass: 575.992 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 139.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 3

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