| CAS No. | 877642-96-1 |
| Molecular Formula | C13H11Cl2N3O3S |
| Molecular Weight | 360.22 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Compared with other compounds in its class, the molecular weight of 360.22 g/mol gives (6-Methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)methyl 2,5-dichlorobenzoate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
CATO supplies (6-Methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)methyl 2,5-dichlorobenzoate (CAS 877642-96-1), a certified reference material (molecular formula C13H11Cl2N3O3S, MW 360.22 g/mol) for analytical method development and quality control.
(6-Methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)methyl 2,5-dichlorobenzoate (C13H11Cl2N3O3S) contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution. It is notably hygroscopic, halogen substitution raises its density and boiling point, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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 | C13H11Cl2N3O3S |
| Molecular Weight | 360.22 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |