(6-Methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)methyl 3-fluorobenzoate CAS 877642-76-7
| CAS No. | 877642-76-7 |
| Molecular Formula | C13H12FN3O3S |
| Molecular Weight | 309.32 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-fluorobenzoate (CAS 877642-76-7) is a high-purity analytical reference standard with the molecular formula C13H12FN3O3S and a molecular weight of 309.32 g/mol.
Structurally, (6-Methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)methyl 3-fluorobenzoate (C13H12FN3O3S) contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 9.0, corresponding to approximately 9 ring(s) or double-bond equivalent(s). With a molecular weight of 309.32 g/mol, it falls into the moderately-high-molecular-weight range. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
CATO manufactures (6-Methyl-3-(methylthio)-5-oxo-1,2,4-triazin-4(5H)-yl)methyl 3-fluorobenzoate 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 | C13H12FN3O3S |
| Molecular Weight | 309.32 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 |
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- 4-Amino-2,6-dichloropyrimidine-5-carbonitrile (CAS 845727-69-7)
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