| CAS No. | 869068-64-4 |
| Molecular Formula | C10H8ClFN4OS |
| Molecular Weight | 286.71 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
CATO supplies 4-Amino-3-((2-chloro-6-fluorobenzyl)thio)-1,2,4-triazin-5(4H)-one (CAS 869068-64-4), a certified reference material (molecular formula C10H8ClFN4OS, MW 286.71 g/mol) for analytical method development and quality control.
Based on its molecular formula C10H8ClFN4OS, 4-Amino-3-((2-chloro-6-fluorobenzyl)thio)-1,2,4-triazin-5(4H)-one contains a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine/chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 286.71 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.
The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.
| Molecular Formula | C10H8ClFN4OS |
| Molecular Weight | 286.71 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.) | 1987 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 1 |