2-(4-Chloro-2-Fluorophenyl)Hexahydro-3-Thioxo-1H-(1,2,4)Triazolo(1,2-a)Pyridazin-1-One CAS 68017-44-7
| CAS No. | 68017-44-7 |
| Molecular Formula | C12H11ClFN3OS |
| Molecular Weight | 299.75 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
2-(4-Chloro-2-Fluorophenyl)Hexahydro-3-Thioxo-1H-(1,2,4)Triazolo(1,2-a)Pyridazin-1-One (CAS 68017-44-7), molecular formula C12H11ClFN3OS and molecular weight 299.75 g/mol, is a CATO reference standard with documented purity and traceability.
2-(4-Chloro-2-Fluorophenyl)Hexahydro-3-Thioxo-1H-(1,2,4)Triazolo(1,2-a)Pyridazin-1-One (C12H11ClFN3OS) contains a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine/chlorine substitution. Halogen substitution raises its density and boiling point, its high carbon-to-hydrogen ratio confers good lipid solubility; these physicochemical properties determine the optimal preparation and storage of its standard solutions. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
CATO manufactures 2-(4-Chloro-2-Fluorophenyl)Hexahydro-3-Thioxo-1H-(1,2,4)Triazolo(1,2-a)Pyridazin-1-One under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C12H11ClFN3OS |
| Molecular Weight | 299.75 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1976 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
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