≥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.
| Canonical Smiles | C1C(=O)C2=C(O1)C=C(C=C2)Br |
|---|---|
| IUPAC Name | 6-bromo-1-benzofuran-3-one |
| InChIKey | CJEHZCSKQCWMJL-UHFFFAOYSA-N |
| INCHI | 1S/C8H5BrO2/c9-5-1-2-6-7(10)4-11-8(6)3-5/h1-3H,4H2 |
| Isomeric SMILES | C1C(=O)C2=C(O1)C=C(C=C2)Br |
| Molecular Weight | 213.03 |
| Reaxy-Rn | 19690227 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19690227&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 | Benzofurans |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzofurans |
| Alternative Parents | Coumarans Aryl alkyl ketones Alkyl aryl ethers Benzenoids Aryl bromides Oxacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Coumaran - Benzofuran - Aryl alkyl ketone - Aryl ketone - Alkyl aryl ether - Aryl bromide - Aryl halide - Benzenoid - Ketone - Oxacycle - Ether - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organobromide - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzofurans. These are organic compounds containing a benzene ring fused to a furan. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom. |
| 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 |
|---|---|---|---|
 A2515177 | Certificate of Analysis | Aug 23, 2024 | B345519 |
| A2515178 | Certificate of Analysis | Aug 23, 2024 | B345519 |
| A2515180 | Certificate of Analysis | Aug 23, 2024 | B345519 |
| A2515181 | Certificate of Analysis | Aug 23, 2024 | B345519 |
| A2515182 | Certificate of Analysis | Aug 23, 2024 | B345519 |
| A2515183 | Certificate of Analysis | Aug 23, 2024 | B345519 |
| B2508441 | Certificate of Analysis | Aug 23, 2024 | B345519 |
| Molecular Weight | 213.030 g/mol |
|---|---|
| XLogP3 | 2.200 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 211.947 Da |
| Monoisotopic Mass | 211.947 Da |
| Topological Polar Surface Area | 26.300 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 181.000 |
| 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 |
