(6-Methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)methyl 3,4-difluorobenzoate CAS 877642-91-6
| CAS No. | 877642-91-6 |
| Molecular Formula | C13H11F2N3O3S |
| Molecular Weight | 327.31 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
(6-Methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)methyl 3,4-difluorobenzoate (CAS 877642-91-6) is a high-purity analytical reference standard with the molecular formula C13H11F2N3O3S and a molecular weight of 327.31 g/mol.
Owing to a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution, (6-Methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)methyl 3,4-difluorobenzoate is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 327.31 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
As a certified reference material (CRM), (6-Methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)methyl 3,4-difluorobenzoate meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C13H11F2N3O3S |
| Molecular Weight | 327.31 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 | F-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
Related Methyl Standards
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Recommended Standards
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