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≥97% 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 | 488191423 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488191423 |
| Canonical Smiles | C1=CC2=C(C=C1F)SC(=C2Cl)C(=O)O |
| IUPAC Name | 3-chloro-6-fluoro-1-benzothiophene-2-carboxylic acid |
| InChIKey | HSRSWUJIPYUCSE-UHFFFAOYSA-N |
| INCHI | 1S/C9H4ClFO2S/c10-7-5-2-1-4(11)3-6(5)14-8(7)9(12)13/h1-3H,(H,12,13) |
| Isomeric SMILES | C1=CC2=C(C=C1F)SC(=C2Cl)C(=O)O |
| WGK Germany | 3 |
| Molecular Weight | 230.64 |
| Reaxy-Rn | 1375746 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1375746&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 | Organoheterocyclic compounds |
| Class | Benzothiophenes |
| Subclass | 1-benzothiophenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 1-benzothiophenes |
| Alternative Parents | Thiophene carboxylic acids Benzenoids Aryl fluorides Aryl chlorides Vinylogous halides Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Organooxygen compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 1-benzothiophene - Thiophene carboxylic acid or derivatives - Thiophene carboxylic acid - Aryl chloride - Aryl fluoride - 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 - Organochloride - Organofluoride - 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 |
|---|---|---|---|
| Certificate of Analysis | Apr 07, 2026 | C169742 | |
| Certificate of Analysis | Apr 07, 2026 | C169742 | |
| Certificate of Analysis | Apr 07, 2026 | C169742 | |
| Certificate of Analysis | Sep 11, 2023 | C169742 | |
| Certificate of Analysis | Feb 23, 2022 | C169742 |
| Melt Point(°C) | 293-297 °C |
|---|---|
| Molecular Weight | 230.640 g/mol |
| XLogP3 | 3.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 229.96 Da |
| Monoisotopic Mass | 229.96 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 |