dichloroacetic acid

Synonyms: "2,2-dichloroacetic acid", "dichloroethanoic acid", "bichloracetic acid"

Source: dichloroacetic acid is used in medical practice as a cauterizing agent.

Identifiers:

IUPAC Name: 2,2-dichloroacetic acid
CAS Number: 79-43-6
PubChem ID: 6597
InChiKey: JXTHNDFMNIQAHM-UHFFFAOYSA-N
Canonical SMILES: C(C(=O)O)(Cl)Cl

Structural Properties:

Molecular Formula: C₂H₂Cl₂O₂
Molecular Weight: 128.942

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 2
Number of atoms different from hydrogen: 6

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2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)

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Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors

Cosby NC, Dukelow WR. 1992. Toxicology of maternally ingested trichloroethylene (TCE) on embryonal and fetal development in mice and of TCE metabolites on in vitro fertilization. Fundam Appl Toxicol 19(2):268-274.

Linder RE, Klinefelter GR, Strader LF, Suarez JD, Roberts NL. 1997. Spermatotoxicity of dichloroacetic acid. Reprod Toxicol 11(5):681-688.