CAS 13425-80-4

Dichloroacetate anion

Description:

The dichloroacetate anion, with the chemical formula CCl2HCOO⁻, is the conjugate base of dichloroacetic acid. It is characterized by the presence of two chlorine atoms attached to the carbon adjacent to the carboxylate group, which significantly influences its chemical properties. This anion is typically found in various chemical reactions and can act as a nucleophile due to the electron-withdrawing effects of the chlorine atoms, which enhance its reactivity. Dichloroacetate anion is soluble in water and polar solvents, making it useful in biochemical applications, particularly in metabolic studies. It is known to play a role in cellular metabolism, particularly in the inhibition of pyruvate dehydrogenase, which can affect energy production pathways. Additionally, the dichloroacetate anion has been studied for its potential therapeutic effects, particularly in cancer treatment, due to its ability to alter metabolic processes in tumor cells. However, safety considerations are important, as the parent compound, dichloroacetic acid, has been associated with toxicity in certain contexts.

Formula: C₂HCl₂O₂

InChI: InChI=1S/C2H2Cl2O2/c3-1(4)2(5)6/h1H,(H,5,6)/p-1

InChI key: InChIKey=JXTHNDFMNIQAHM-UHFFFAOYSA-M

SMILES: C(C([O-])=O)(Cl)Cl

Synonyms:

• Dichloroacetate ion
• ACETICACID,DICHLORO-,ION(1-)
• Acetic acid, 2,2-dichloro-, ion(1-)
• 2-methylprop-2-enamide
• Acetic acid, dichloro-, ion(1-)
• Dichloroacetate anion
• Dichloroacetate