dichloroacetic acid

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

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


IUPAC Name: 2,2-dichloroacetic acid
CAS Number: 79-43-6
PubChem ID: 6597
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


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

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Toxicological Information

ACToR (Aggregated Computational Toxicology Resource)

HSDB (Hazardous Substances Data Bank)

CCRIS (Chemical Carcinogenesis Research Information System)

CTD (Comparative Toxicogenomics Database)

IRIS (Integrated Risk Information System)

ITER (International Toxicity Estimates for Risk)

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.

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