Sodium dichlorofluoroacetate - ≥98% , CAS No.2837-90-3

CAS: 2837-90-3 Cat. No.: S1052228 Formula: C₂Cl₂FNaO₂ Peso molecolare: 168.91 Numero EC: 820-944-4 PubChem CID: 4130193

GRADE & PURITY ≥98%

Storage

Room temperature

Specifications

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Purezza

≥98%

Nomi e identificatori

• Sorrisi canonici: C(=O)(C(F)(Cl)Cl)[O-].[Na+]
• IUPAC Name: sodium;2,2-dichloro-2-fluoroacetate
• InChIKey: IZJLVZAQCUZJQO-UHFFFAOYSA-M
• INCHI: 1S/C2HCl2FO2.Na/c3-2(4,5)1(6)7;/h(H,6,7);/q;+1/p-1
• Isomeri SMILES: C(=O)(C(F)(Cl)Cl)[O-].[Na+]
• PubChem CID: 4130193
• Peso molecolare: 168.91

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: 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 Organofluorides Organochlorides Organic sodium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides 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 fluoride - Organic salt - Organooxygen compound - Organofluoride - Organochloride - Organohalogen compound - Organic sodium salt - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Alkyl halide - Organic cation - Aliphatic acyclic compound
• Descrizione: 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

Proprietà chimiche e fisiche

• Peso molecolare: 168.910 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 167.916 Da
• Monoisotopic Mass: 167.916 Da
• Topological Polar Surface Area: 40.100 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 96.000
• 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: 2

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