Dichlorobis(di-tert-butylphenylphosphine)palladium(II) - ≥99.95% metals basis , CAS No.34409-44-4

CAS: 34409-44-4 Cat. No.: D294533 Molecular Weight: 621.94 EC Number: 681-978-1 PubChem CID: 56649816

GRADE & PURITY ≥99.95% metals basis

Synonyms

dichlorobis(di-tert-butylphenylphosphine)palladium(ii) | Dichlorobis(di-t-butylphenylphosphino)palladium(II), 99% | SY067594 | QNNRAWADYXIGHE-UHFFFAOYSA-L | SCHEMBL1304876 | Dichlorobis(di-tert-butylphenylphosphine)palladium(II), 95% | AKOS027251097 | A87

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

Catalyst for cross-coupling reactions

Specifications

Synonyms

dichlorobis(di-tert-butylphenylphosphine)palladium(ii) | Dichlorobis(di-t-butylphenylphosphino)palladium(II), 99% | SY067594 | QNNRAWADYXIGHE-UHFFFAOYSA-L | SCHEMBL1304876 | Dichlorobis(di-tert-butylphenylphosphine)palladium(II), 95% | AKOS027251097 | A87

Specifications & Purity

≥99.95% metals basis

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥99.95% metals basis

Names and Identifiers

• Pubchem Sid: 504771431
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504771431
• Canonical Smiles: CC(C)(C)P(C1=CC=CC=C1)C(C)(C)C.CC(C)(C)P(C1=CC=CC=C1)C(C)(C)C.Cl[Pd]Cl
• IUPAC Name: ditert-butyl(phenyl)phosphane;dichloropalladium
• InChIKey: QNNRAWADYXIGHE-UHFFFAOYSA-L
• INCHI: 1S/2C14H23P.2ClH.Pd/c2*1-13(2,3)15(14(4,5)6)12-10-8-7-9-11-12;;;/h2*7-11H,1-6H3;2*1H;/q;;;;+2/p-2
• Isomeric SMILES: CC(C)(C)P(C1=CC=CC=C1)C(C)(C)C.CC(C)(C)P(C1=CC=CC=C1)C(C)(C)C.Cl[Pd]Cl
• WGK Germany: 3
• PubChem CID: 56649816
• Molecular Weight: 621.94

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

• Sensitivity: Air & Moisture Sensitive
• Melt Point(°C): 260-264°C
• Molecular Weight: 621.900 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 6
• Exact Mass: 620.149 Da
• Monoisotopic Mass: 620.149 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 177.000
• 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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