≥97% 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 | 488193688 |
|---|---|
| Canonical Smiles | C1=CC2=NON=C2C=C1Br |
| IUPAC Name | 5-bromo-2,1,3-benzoxadiazole |
| InChIKey | ZWDFFESFCIACQC-UHFFFAOYSA-N |
| INCHI | 1S/C6H3BrN2O/c7-4-1-2-5-6(3-4)9-10-8-5/h1-3H |
| Isomeric SMILES | C1=CC2=NON=C2C=C1Br |
| Molecular Weight | 199.01 |
| Reaxy-Rn | 122450 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=122450&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 | Benzoxadiazoles |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzoxadiazoles |
| Alternative Parents | Benzenoids Aryl bromides Heteroaromatic compounds Furazans Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organobromides Organic oxygen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzoxadiazole - Aryl bromide - Aryl halide - Benzenoid - Azole - Furazan - Oxadiazole - Heteroaromatic compound - Azacycle - Organonitrogen compound - Organobromide - Organohalogen compound - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzoxadiazoles. These are organic compounds containing a benzene fused to an oxadiazole ring (a five-membered ring with two carbon atoms, one nitrogen atom, 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 |
|---|---|---|---|
 E2007122 | Certificate of Analysis | Sep 16, 2025 | B138932 |
| G2311369 | Certificate of Analysis | Apr 08, 2025 | B138932 |
| G2311373 | Certificate of Analysis | Apr 08, 2025 | B138932 |
| G2311380 | Certificate of Analysis | Apr 08, 2025 | B138932 |
| G2311381 | Certificate of Analysis | Apr 08, 2025 | B138932 |
| G2311532 | Certificate of Analysis | Apr 08, 2025 | B138932 |
| G2311539 | Certificate of Analysis | Apr 08, 2025 | B138932 |
| G2311540 | Certificate of Analysis | Apr 08, 2025 | B138932 |
| G2311546 | Certificate of Analysis | Apr 08, 2025 | B138932 |
| G2311554 | Certificate of Analysis | Apr 08, 2025 | B138932 |
| K2109394 | Certificate of Analysis | Aug 15, 2023 | B138932 |
| K2109409 | Certificate of Analysis | Aug 15, 2023 | B138932 |
| Melt Point(°C) | 72 - 74 °C |
|---|---|
| Molecular Weight | 199.000 g/mol |
| XLogP3 | 1.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 197.943 Da |
| Monoisotopic Mass | 197.943 Da |
| Topological Polar Surface Area | 38.900 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 133.000 |
| 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 |
