≥98% 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488196078 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488196078 |
| Canonical Smiles | C1=CC2=C(C=C1Br)C(=CN2)C(=O)O |
| IUPAC Name | 5-bromo-1H-indole-3-carboxylic acid |
| InChIKey | JVZMBSGNSAHFCY-UHFFFAOYSA-N |
| INCHI | 1S/C9H6BrNO2/c10-5-1-2-8-6(3-5)7(4-11-8)9(12)13/h1-4,11H,(H,12,13) |
| Isomeric SMILES | C1=CC2=C(C=C1Br)C(=CN2)C(=O)O |
| Molecular Weight | 240.06 |
| Reaxy-Rn | 475219 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=475219&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 | Indoles and derivatives |
| Subclass | Indolecarboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Indolecarboxylic acids and derivatives |
| Alternative Parents | Indoles Pyrrole carboxylic acids Substituted pyrroles Benzenoids Aryl bromides Vinylogous amides Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Indolecarboxylic acid derivative - Indole - Pyrrole-3-carboxylic acid - Pyrrole-3-carboxylic acid or derivatives - Aryl halide - Benzenoid - Substituted pyrrole - Aryl bromide - Heteroaromatic compound - Vinylogous amide - Pyrrole - Azacycle - Carboxylic acid derivative - Carboxylic acid - Organobromide - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as indolecarboxylic acids and derivatives. These are compounds containing a carboxylic acid group (or a derivative thereof) linked to an indole. |
| 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 |
|---|---|---|---|
 F2314755 | Certificate of Analysis | Mar 18, 2026 | B152540 |
| F2314759 | Certificate of Analysis | Mar 18, 2026 | B152540 |
| F2314772 | Certificate of Analysis | Mar 18, 2026 | B152540 |
| F2314773 | Certificate of Analysis | Mar 18, 2026 | B152540 |
| F2314774 | Certificate of Analysis | Mar 18, 2026 | B152540 |
| F2314775 | Certificate of Analysis | Mar 18, 2026 | B152540 |
| F2314776 | Certificate of Analysis | Mar 18, 2026 | B152540 |
| F2314880 | Certificate of Analysis | Mar 18, 2026 | B152540 |
| K1904159 | Certificate of Analysis | Jun 16, 2025 | B152540 |
| Boil Point(°C) | 240°C |
|---|---|
| Melt Point(°C) | 216-220℃ |
| Molecular Weight | 240.050 g/mol |
| XLogP3 | 2.700 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 238.958 Da |
| Monoisotopic Mass | 238.958 Da |
| Topological Polar Surface Area | 53.100 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 222.000 |
| 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 |
