Bis(acetonitrile)dichloropalladium(II) - PrimorTrace™, ≥99.99% metals basis , CAS No.14592-56-4

CAS: 14592-56-4 Cat. No.: B475148 Molecular Weight: 259.43 EC Number: 238-637-3 PubChem CID: 6093782

GRADE & PURITY PrimorTrace™, ≥99.99% metals basis

Synonyms

bis(acetonitrile)palladium(II)dichloride | Bis(acetonitrile)dichloropalladium(II), 99.99% | bisacetonitrile palladium (II) chloride | dichloropalladium bisacetonitrile | GC10029 | bis(acetonitrile)-palladium(ii) chloride | bis (acetonitrile) palladium chl

Storage

Room temperature

Overview

Description

Application Guide for Palladium Catalyzed Cross-Coupling Reactions

Specifications

Synonyms

bis(acetonitrile)palladium(II)dichloride | Bis(acetonitrile)dichloropalladium(II), 99.99% | bisacetonitrile palladium (II) chloride | dichloropalladium bisacetonitrile | GC10029 | bis(acetonitrile)-palladium(ii) chloride | bis (acetonitrile) palladium chl

Specifications & Purity

PrimorTrace™, ≥99.99% metals basis

Storage

Room temperature

Grade

PrimorTrace™

Purity

≥99.99% metals basis

Names and Identifiers

• Canonical Smiles: CC#N.CC#N.Cl[Pd]Cl
• IUPAC Name: acetonitrile;dichloropalladium
• InChIKey: RBYGDVHOECIAFC-UHFFFAOYSA-L
• INCHI: 1S/2C2H3N.2ClH.Pd/c2*1-2-3;;;/h2*1H3;2*1H;/q;;;;+2/p-2
• Isomeric SMILES: CC#N.CC#N.Cl[Pd]Cl
• WGK Germany: 3
• PubChem CID: 6093782
• UN Number: 3077
• Molecular Weight: 259.43
• Reaxy-Rn: 14640205

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Organic cyanides

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Organic cyanides
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitriles
• Alternative Parents: Organic transition metal salts Organic metal halides Organopnictogen compounds Organic chloride salts Hydrocarbon derivatives
• Molecular Framework: Not available
• Substituents: Organic metal halide - Organic transition metal salt - Nitrile - Carbonitrile - Organopnictogen compound - Hydrocarbon derivative - Organic chloride salt - Organic salt - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as nitriles. These are compounds having the structure RC#N; thus C-substituted derivatives of hydrocyanic acid, HC#N.
• 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

• Melt Point(°C): 300°C
• Molecular Weight: 259.430 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 257.894 Da
• Monoisotopic Mass: 257.894 Da
• Topological Polar Surface Area: 47.600 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 32.100
• 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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