≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Desiccated 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C1=CC2=C(C=C1Br)SC(=C2Cl)C(=O)O |
|---|---|
| IUPAC Name | 6-bromo-3-chloro-1-benzothiophene-2-carboxylic acid |
| InChIKey | YTGVICLKMKCFAJ-UHFFFAOYSA-N |
| INCHI | 1S/C9H4BrClO2S/c10-4-1-2-5-6(3-4)14-8(7(5)11)9(12)13/h1-3H,(H,12,13) |
| Isomeric SMILES | C1=CC2=C(C=C1Br)SC(=C2Cl)C(=O)O |
| PubChem CID | 841819 |
| Molecular Weight | 291.55 |
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 | Organoheterocyclic compounds |
| Class | Benzothiophenes |
| Subclass | 1-benzothiophenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 1-benzothiophenes |
| Alternative Parents | Thiophene carboxylic acids Benzenoids Aryl chlorides Aryl bromides Vinylogous halides Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Organooxygen compounds Organochlorides Organobromides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 1-benzothiophene - Thiophene carboxylic acid or derivatives - Thiophene carboxylic acid - Aryl bromide - Aryl chloride - Aryl halide - Benzenoid - Heteroaromatic compound - Vinylogous halide - Thiophene - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organohalogen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organobromide - Organochloride - Organooxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as 1-benzothiophenes. These are aromatic heterocyclic compound containing the Benzo[b]thiophene ring system. |
| 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 |
|---|---|---|---|
 A2627396 | Certificate of Analysis | Nov 19, 2025 | B699214 |
| A2627397 | Certificate of Analysis | Nov 19, 2025 | B699214 |
| A2627398 | Certificate of Analysis | Nov 19, 2025 | B699214 |
| A2627406 | Certificate of Analysis | Nov 19, 2025 | B699214 |
| Molecular Weight | 291.550 g/mol |
|---|---|
| XLogP3 | 4.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 289.88 Da |
| Monoisotopic Mass | 289.88 Da |
| Topological Polar Surface Area | 65.500 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 251.000 |
| 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 |
![6-Bromo-3-chlorobenzo[b]thiophene-2-carboxylic acid - ≥97% CAS No(438613-29-7) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/B/6/B699214.jpg)