≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Chlorodibromoacetic acid is a haloacetic acid, a family of organic disinfection byproducts originating from chlorinated water. In drinking water, haloacetic acids like Chlorodibromoacetic acid can be common contaminants. Chromatography with Chlorodibromoacetic acid as an analytical standard may be performed for the determination of the presence of any Chlorodibromoacetic acid in drinking water. In addition, Chlorodibromoacetic acid may also see application in the environmental, food and beverage, forensics, petrochemical, and pharmaceutical industries.
| Canonical Smiles | C(=O)(C(Cl)(Br)Br)O |
|---|---|
| IUPAC Name | 2,2-dibromo-2-chloroacetic acid |
| InChIKey | UCZDDMGNCJJAHK-UHFFFAOYSA-N |
| INCHI | 1S/C2HBr2ClO2/c3-2(4,5)1(6)7/h(H,6,7) |
| Isomeric SMILES | C(=O)(C(Cl)(Br)Br)O |
| Molecular Weight | 252.29 |
| Reaxy-Rn | 1703123 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1703123&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Class | Carboxylic acids and derivatives |
| Subclass | Alpha-halocarboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Alpha-halocarboxylic acids |
| Alternative Parents | Monocarboxylic acids and derivatives Carboxylic acids Organochlorides Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides Alkyl bromides |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Alpha-halocarboxylic acid - Monocarboxylic acid or derivatives - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organobromide - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl chloride - Alkyl bromide - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as alpha-halocarboxylic acids. These are carboxylic acids containing a halogen atom bonded to the alpha carbon atom. |
| External Descriptors | Not available |
| Melt Point(°C) | 99-102° C (lit.) |
|---|---|
| Molecular Weight | 252.290 g/mol |
| XLogP3 | 2.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 251.801 Da |
| Monoisotopic Mass | 249.803 Da |
| Topological Polar Surface Area | 37.300 Ų |
| Heavy Atom Count | 7 |
| Formal Charge | 0 |
| Complexity | 91.700 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
| 1. Liu Jun-Ling, Zhang Xiao-Pan, Peng Chen-Wei, Luo Hai-Yuan, Liu Ai-Lin. (2025) Effect of haloacetic acid water disinfection byproducts on intestinal barrier function in nematode Caenorhabditis elegans. ENVIRONMENTAL TOXICOLOGY AND CHEMISTRY, [PMID:40378183] [10.1093/etojnl/vgaf129] |
