dibromoacetic acid

Synonyms: "2,2-dibromoacetic acid", "dibromoacetate"

Source: dibromoacetic acid is found in drinking water as a by-product of chlorine disinfection.


IUPAC Name: 2,2-dibromoacetic acid
CAS Number: 631-64-1
PubChem ID: 12433
Canonical SMILES: C(C(=O)O)(Br)Br

Structural Properties:

Molecular Formula: C2H2Br2O2
Molecular Weight: 217,844

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)

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

Linder RE, Klinefelter GR, Strader LF, Veeramachaneni DNR, Roberts NL, Suarez JD. 1997. Histopathologic changes in the testes of rats exposed to dibromoacetic acid. Reprod Toxicol 11(1):47-56.

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