≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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 | C1OC2=C(O1)C=C(C=C2)C3=NN=C4N3N=C(C=C4)Cl |
|---|---|
| IUPAC Name | 3-(1,3-benzodioxol-5-yl)-6-chloro-[1,2,4]triazolo[4,3-b]pyridazine |
| InChIKey | JKNQOJFNAKGJGF-UHFFFAOYSA-N |
| INCHI | 1S/C12H7ClN4O2/c13-10-3-4-11-14-15-12(17(11)16-10)7-1-2-8-9(5-7)19-6-18-8/h1-5H,6H2 |
| Molecular Weight | 274.660 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Triazolopyridazines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Triazolopyridazines |
| Alternative Parents | Benzodioxoles Pyridazines and derivatives Benzenoids Aryl chlorides Triazoles Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Acetals Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzodioxole - Triazolopyridazine - Aryl chloride - Aryl halide - Pyridazine - Benzenoid - 1,2,4-triazole - Azole - Heteroaromatic compound - Azacycle - Acetal - Oxacycle - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as triazolopyridazines. These are polycyclic compounds containing a triazole fused to a pyridazine. Triazole is a five-membered ring consisting of two carbon atoms and three nitrogen atoms. Pyridazine is a six-membered aromatic ring with two adjacent nitrogen atoms, and for carbon atoms. |
| External Descriptors | Not available |
| Molecular Weight | 274.660 g/mol |
|---|---|
| XLogP3 | 2.200 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 1 |
| Exact Mass | 274.026 Da |
| Monoisotopic Mass | 274.026 Da |
| Topological Polar Surface Area | 61.500 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 348.000 |
| 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 |
![3-(2H-1,3-benzodioxol-5-yl)-6-chloro-[1,2,4]triazolo[4,3-b]pyridazine - ≥95% CAS No(448190-45-2) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/H/9/H989459.jpg)