≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488183213 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488183213 |
| Canonical Smiles | C1=CC(=C(C=C1Br)C(=O)O)Cl |
| IUPAC Name | 5-bromo-2-chlorobenzoic acid |
| InChIKey | FGERXQWKKIVFQG-UHFFFAOYSA-N |
| INCHI | 1S/C7H4BrClO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H,10,11) |
| Isomeric SMILES | C1=CC(=C(C=C1Br)C(=O)O)Cl |
| WGK Germany | 3 |
| Alternate CAS | 21739-92-4 |
| Molecular Weight | 235.46 |
| Beilstein | 2691432 |
| Reaxy-Rn | 2691432 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2691432&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 | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Halobenzoic acids and derivatives |
| Direct Parent | Halobenzoic acids |
| Alternative Parents | 2-halobenzoic acids 3-halobenzoic acids Benzoic acids 1-carboxy-2-haloaromatic compounds Benzoyl derivatives Bromobenzenes Chlorobenzenes Aryl bromides Aryl chlorides Vinylogous halides Monocarboxylic acids and derivatives Organic oxides Organobromides Organooxygen compounds Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | 2-halobenzoic acid or derivatives - Halobenzoic acid - 3-halobenzoic acid - 2-halobenzoic acid - 3-halobenzoic acid or derivatives - Benzoic acid - Benzoyl - 1-carboxy-2-haloaromatic compound - Bromobenzene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl bromide - Aryl halide - Vinylogous halide - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organochloride - Organobromide - Organohalogen compound - Organic oxide - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as halobenzoic acids. These are benzoic acids carrying a halogen atom on the benzene ring. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 L1205056 | Certificate of Analysis | Dec 22, 2025 | B120331 |
| H2525054 | Certificate of Analysis | Aug 30, 2025 | B120331 |
| E2325260 | Certificate of Analysis | Feb 11, 2025 | B120331 |
| A2207710 | Certificate of Analysis | Oct 13, 2023 | B120331 |
| A2207713 | Certificate of Analysis | Oct 13, 2023 | B120331 |
| A2207835 | Certificate of Analysis | Oct 13, 2023 | B120331 |
| A2207838 | Certificate of Analysis | Oct 13, 2023 | B120331 |
| A2207847 | Certificate of Analysis | Oct 13, 2023 | B120331 |
| B1824088 | Certificate of Analysis | Jul 13, 2023 | B120331 |
| B1824087 | Certificate of Analysis | Jul 13, 2023 | B120331 |
| Solubility | Soluble in water 2.63 g/L @20°C. |
|---|---|
| Melt Point(°C) | 157-162°C |
| Molecular Weight | 235.460 g/mol |
| XLogP3 | 2.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 233.908 Da |
| Monoisotopic Mass | 233.908 Da |
| Topological Polar Surface Area | 37.300 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 163.000 |
| 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 |
