≥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.
| Canonical Smiles | C1=C(C2=NN=NN2C=C1Br)[N+](=O)[O-] |
|---|---|
| IUPAC Name | 6-bromo-8-nitrotetrazolo[1,5-a]pyridine |
| InChIKey | NXTXSMJQRBVECE-UHFFFAOYSA-N |
| INCHI | 1S/C5H2BrN5O2/c6-3-1-4(11(12)13)5-7-8-9-10(5)2-3/h1-2H |
| Isomeric SMILES | C1=C(C2=NN=NN2C=C1Br)[N+](=O)[O-] |
| PubChem CID | 26370237 |
| Molecular Weight | 244 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic 1,3-dipolar compounds |
| Class | Allyl-type 1,3-dipolar organic compounds |
| Subclass | Organic nitro compounds |
| Intermediate Tree Nodes | C-nitro compounds |
| Direct Parent | Nitroaromatic compounds |
| Alternative Parents | Pyridines and derivatives Aryl bromides Tetrazoles Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organonitrogen compounds Organobromides Organic salts Organic oxides Hydrocarbon derivatives Organic cations |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Nitroaromatic compound - Aryl bromide - Aryl halide - Pyridine - Azole - Heteroaromatic compound - Tetrazole - Organic oxoazanium - Azacycle - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxygen compound - Organic salt - Organic oxide - Organic cation - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as nitroaromatic compounds. These are c-nitro compounds where the nitro group is C-substituted with an aromatic group. |
| External Descriptors | Not available |
| Molecular Weight | 244.010 g/mol |
|---|---|
| XLogP3 | 0.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 0 |
| Exact Mass | 242.939 Da |
| Monoisotopic Mass | 242.939 Da |
| Topological Polar Surface Area | 88.900 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 221.000 |
| 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 |
![6-Bromo-8-nitrotetrazolo[1,5-a]pyridine - ≥98% CAS No(16098-20-7) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/B/1/B181853.png)