≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Argon charged,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 | 504753406 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504753406 |
| Canonical Smiles | C1=CC2=C(C=C1Br)OC(=O)N2 |
| IUPAC Name | 6-bromo-3H-1,3-benzoxazol-2-one |
| InChIKey | DDNKJFBQMQOIKI-UHFFFAOYSA-N |
| INCHI | 1S/C7H4BrNO2/c8-4-1-2-5-6(3-4)11-7(10)9-5/h1-3H,(H,9,10) |
| Isomeric SMILES | C1=CC2=C(C=C1Br)OC(=O)N2 |
| WGK Germany | 3 |
| RTECS | DM4960000 |
| Molecular Weight | 214.02 |
| Reaxy-Rn | 135506 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=135506&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 | Benzoxazoles |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzoxazoles |
| Alternative Parents | Benzenoids Aryl bromides Oxazoles Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzoxazole - Aryl bromide - Aryl halide - Benzenoid - Azole - Oxazole - Heteroaromatic compound - Azacycle - Oxacycle - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzoxazoles. These are organic compounds containing a benzene fused to an oxazole ring Oxazole is five-membered aromatic ring with a nitrogen and an oxygen atoms at the 1- and 3-position, respectively. |
| External Descriptors | organobromine compound - benzoxazole |
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 F2419023 | Certificate of Analysis | Apr 15, 2026 | B168327 |
| L1920001 | Certificate of Analysis | Apr 09, 2025 | B168327 |
| E2331050 | Certificate of Analysis | Jun 07, 2023 | B168327 |
| L2214759 | Certificate of Analysis | Dec 24, 2022 | B168327 |
| Solubility | Soluble in Methanol |
|---|---|
| Sensitivity | Moisture sensitive，light sensitive |
| Melt Point(°C) | 195 °C |
| Molecular Weight | 214.020 g/mol |
| XLogP3 | 1.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 212.943 Da |
| Monoisotopic Mass | 212.943 Da |
| Topological Polar Surface Area | 38.300 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 185.000 |
| 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 |
