≥97% 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 | 488188067 |
|---|---|
| Canonical Smiles | CN1C(=NC=N1)Br |
| IUPAC Name | 5-bromo-1-methyl-1,2,4-triazole |
| InChIKey | ZYLIOXAULQKGII-UHFFFAOYSA-N |
| INCHI | 1S/C3H4BrN3/c1-7-3(4)5-2-6-7/h2H,1H3 |
| Isomeric SMILES | CN1C(=NC=N1)Br |
| WGK Germany | 3 |
| Molecular Weight | 161.99 |
| Reaxy-Rn | 606850 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=606850&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 | Organohalogen compounds |
| Class | Aryl halides |
| Subclass | Aryl bromides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Aryl bromides |
| Alternative Parents | Triazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aryl bromide - Heteroaromatic compound - 1,2,4-triazole - Azole - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as aryl bromides. These are organic compounds containing the acyl bromide functional group. |
| 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 |
|---|---|---|---|
 I2201007 | Certificate of Analysis | Mar 11, 2026 | B138350 |
| J2523034 | Certificate of Analysis | Oct 27, 2025 | B138350 |
| J2127355 | Certificate of Analysis | Aug 01, 2023 | B138350 |
| J2127356 | Certificate of Analysis | Aug 01, 2023 | B138350 |
| J2127397 | Certificate of Analysis | Aug 01, 2023 | B138350 |
| Molecular Weight | 161.990 g/mol |
|---|---|
| XLogP3 | 1.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 160.959 Da |
| Monoisotopic Mass | 160.959 Da |
| Topological Polar Surface Area | 30.700 Ų |
| Heavy Atom Count | 7 |
| Formal Charge | 0 |
| Complexity | 67.200 |
| 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 |
