≥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=CC=C(C(=C1)C2=NN=C3N2N=C(C=C3)Cl)F |
|---|---|
| IUPAC Name | 6-chloro-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine |
| InChIKey | LLGBCOHTUHFRBO-UHFFFAOYSA-N |
| INCHI | 1S/C11H6ClFN4/c12-9-5-6-10-14-15-11(17(10)16-9)7-3-1-2-4-8(7)13/h1-6H |
| Isomeric SMILES | C1=CC=C(C(=C1)C2=NN=C3N2N=C(C=C3)Cl)F |
| PubChem CID | 43144392 |
| Molecular Weight | 248.64 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Azoles |
| Subclass | Triazoles |
| Intermediate Tree Nodes | Phenyltriazoles |
| Direct Parent | Phenyl-1,2,4-triazoles |
| Alternative Parents | Triazolopyridazines Fluorobenzenes Pyridazines and derivatives Aryl fluorides Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organofluorides Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenyl-1,2,4-triazole - Triazolopyridazine - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Pyridazine - Benzenoid - Heteroaromatic compound - Azacycle - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organofluoride - Organonitrogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenyl-1,2,4-triazoles. These are organic compounds containing a 1,2,4-triazole substituted by a phenyl group. |
| External Descriptors | Not available |
| Molecular Weight | 248.640 g/mol |
|---|---|
| XLogP3 | 2.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 248.027 Da |
| Monoisotopic Mass | 248.027 Da |
| Topological Polar Surface Area | 43.100 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 280.000 |
| 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-Chloro-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine - ≥98% , CAS No.1094354-48-9](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)