Tetrakis(acetonitrile)palladium(II) tetrafluoroborate - Pd≥24% , CAS No.21797-13-7

CAS: 21797-13-7 Cat. No.: T189078 Molecular Weight: 444.24 EC Number: 624-803-6 PubChem CID: 2734560

GRADE & PURITY Pd≥24%

Synonyms

NSC 307191 | D82083 | SY061401 | Tetrakis(acetonitrile)palladium(ii)tetrafluoroborate | NSC 307191 | MFCD00043297 | AMY11846 | Tetrakis(acetonitrile)palladium(II) tetrafluoroborate | acetonitrile;palladium(2+);ditetrafluoroborate | FT-0727643 | Tetrakis(a

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

Tetrakis(acetonitrile)palladium(II) tetrafluoroborate is a stronger Lewis acid. It participates in the preparation of 2:1 complex [Pd(1,2-bis(2′-pyridylethynyl)benzene)2](BF4]2, by Sonogashira cross-coupling reaction.

Specifications

Synonyms

NSC 307191 | D82083 | SY061401 | Tetrakis(acetonitrile)palladium(ii)tetrafluoroborate | NSC 307191 | MFCD00043297 | AMY11846 | Tetrakis(acetonitrile)palladium(II) tetrafluoroborate | acetonitrile;palladium(2+);ditetrafluoroborate | FT-0727643 | Tetrakis(a

Specifications & Purity

Pd≥24%

Storage

Argon charged, Room temperature

Shipped In

Normal

Names and Identifiers

• Pubchem Sid: 488192605
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488192605
• Canonical Smiles: [B-](F)(F)(F)F.[B-](F)(F)(F)F.CC#N.CC#N.CC#N.CC#N.[Pd+2]
• IUPAC Name: acetonitrile;palladium(2+);ditetrafluoroborate
• InChIKey: YWMRPVUMBTVUEX-UHFFFAOYSA-N
• INCHI: 1S/4C2H3N.2BF4.Pd/c4*1-2-3;2*2-1(3,4)5;/h4*1H3;;;/q;;;;2*-1;+2
• Isomeric SMILES: [B-](F)(F)(F)F.[B-](F)(F)(F)F.CC#N.CC#N.CC#N.CC#N.[Pd+2]
• PubChem CID: 2734560
• Molecular Weight: 444.24

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 metalloid salts Organic metal halides Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Not available
• Substituents: Organic metal halide - Organic metalloid salt - Organic transition metal salt - Nitrile - Carbonitrile - Organopnictogen compound - Hydrocarbon derivative - 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

• Solubility: Soluble in water
• Sensitivity: Air & Moisture Sensitive.
• Melt Point(°C): 230°C
• Molecular Weight: 444.200 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 0
• Exact Mass: 444.016 Da
• Monoisotopic Mass: 444.016 Da
• Topological Polar Surface Area: 95.200 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 48.400
• 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: 7

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