trichloroacetic acid

Synonyms: "trichloroethanoic acid", "aceto-caustin",

Source: trichloroacetic acid is used as an antiseptics, skin peeling agent, and chemical intermediate to produce a variety of organic chemicals.


IUPAC Name: 2,2,2-trichloroacetic acid
CAS Number: 76-03-9
PubChem ID: 6421
Canonical SMILES: C(=O)(C(Cl)(Cl)Cl)O

Structural Properties:

Molecular Formula: C2HCl3O2
Molecular Weight: 163,387

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 2
Number of atoms different from hydrogen: 7


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.
Van den Berg KJ, van Raaij JAGM, Bragt PC, Notten WRF. 1991. Interactions of halogenated industrial chemicals with transthyretin and effects on thyroid hormone levels in vivo. Arch Toxicol 65(1):15-19.

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