≥98% 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 | 488192735 |
|---|---|
| Canonical Smiles | C1=CC2=NON=C2C=C1CBr |
| IUPAC Name | 5-(bromomethyl)-2,1,3-benzoxadiazole |
| InChIKey | BUJFLTNYWUEROF-UHFFFAOYSA-N |
| INCHI | 1S/C7H5BrN2O/c8-4-5-1-2-6-7(3-5)10-11-9-6/h1-3H,4H2 |
| Isomeric SMILES | C1=CC2=NON=C2C=C1CBr |
| Molecular Weight | 213.03 |
| Reaxy-Rn | 511086 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=511086&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 Heteroaromatic compounds Furazans Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organobromides Organic oxygen compounds Hydrocarbon derivatives Alkyl bromides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzoxadiazole - Benzenoid - Azole - Furazan - Oxadiazole - Heteroaromatic compound - Azacycle - Organic oxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Alkyl halide - Organic nitrogen compound - Alkyl bromide - Hydrocarbon derivative - Organopnictogen compound - 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 |
|---|---|---|---|
 B2317402 | Certificate of Analysis | Dec 10, 2025 | B344799 |
| B2317445 | Certificate of Analysis | Dec 10, 2025 | B344799 |
| B2317456 | Certificate of Analysis | Dec 10, 2025 | B344799 |
| B2317461 | Certificate of Analysis | Dec 10, 2025 | B344799 |
| B2223355 | Certificate of Analysis | Dec 16, 2024 | B344799 |
| B2317443 | Certificate of Analysis | Dec 15, 2022 | B344799 |
| B2223358 | Certificate of Analysis | Dec 30, 2021 | B344799 |
| Molecular Weight | 213.030 g/mol |
|---|---|
| XLogP3 | 1.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 211.959 Da |
| Monoisotopic Mass | 211.959 Da |
| Topological Polar Surface Area | 38.900 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 144.000 |
| 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 |
