Potassium dichloroacetate - ≥98% , CAS No.19559-59-2

CAS: 19559-59-2 Cat. No.: P472322 Summenformel: Cl₂CHCO₂K Molekulargewicht: 167.03 EG-Nummer: 629-241-5 PubChem CID: 23681501

GRADE & PURITY ≥98%

Synonyms

Acetic acid, dichloro-, potassium salt | Potassium dichloroacetate, 98% | AKOS015892862 | AMY37994 | potassium;2,2-dichloroacetate | Potassium dichloroacetate | KDGSZJXXQWMOKP-UHFFFAOYSA-M | DTXSID70635580 | SCHEMBL108299

Storage

Room temperature

Specifications

Synonyme

Acetic acid, dichloro-, potassium salt | Potassium dichloroacetate, 98% | AKOS015892862 | AMY37994 | potassium;2,2-dichloroacetate | Potassium dichloroacetate | KDGSZJXXQWMOKP-UHFFFAOYSA-M | DTXSID70635580 | SCHEMBL108299

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Reinheit

≥98%

Namen und Kennungen

• Kanonisches Lächeln: C(C(=O)[O-])(Cl)Cl.[K+]
• IUPAC Name: potassium;2,2-dichloroacetate
• InChIKey: KDGSZJXXQWMOKP-UHFFFAOYSA-M
• INCHI: 1S/C2H2Cl2O2.K/c3-1(4)2(5)6;/h1H,(H,5,6);/q;+1/p-1
• Isomere SMILES: C(C(=O)[O-])(Cl)Cl.[K+]
• PubChem CID: 23681501
• Molekulargewicht: 167.03

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Carboxylic acids and derivatives
      • Subclass Alpha-halocarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: Carboxylic acids and derivatives
• Subclass: Alpha-halocarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Alpha-halocarboxylic acids
• Alternative Parents: Carboxylic acid salts Organic metal halides Monocarboxylic acids and derivatives Carboxylic acids Organochlorides Organic potassium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides Organic cations
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-halocarboxylic acid - Carboxylic acid salt - Organic metal halide - Carboxylic acid - Organic alkali metal salt - Monocarboxylic acid or derivatives - Alkyl chloride - Alkyl halide - Organic salt - Organooxygen compound - Organochloride - Organohalogen compound - Organic potassium salt - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organic cation - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as alpha-halocarboxylic acids. These are carboxylic acids containing a halogen atom bonded to the alpha carbon atom.
• 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

Chemische und physikalische Eigenschaften

• Flammpunkt (°F): Not applicable
• Flammpunkt (°C): Not applicable
• Schmelzpunkt (°C): 200℃ (dec.) (lit.)
• Molekulargewicht: 167.030 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 165.899 Da
• Monoisotopic Mass: 165.899 Da
• Topological Polar Surface Area: 40.100 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 64.700
• 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: 2

XLogP3

Häufig gestellte Fragen

How should this product be stored?

Store at room temperature.

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 19559-59-2, the molecular formula is C2HCl2KO2, and the molecular weight is 167.03 g/mol. InChIKey KDGSZJXXQWMOKP-UHFFFAOYSA-M.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.