Methyl 2-({6-methyl-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-5-yl}sulfanyl)benzoate CAS 339103-77-4
| CAS No. | 339103-77-4 |
| Molecular Formula | C19H14F3N3O2S |
| Molecular Weight | 405.39 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Structurally, Methyl 2-({6-methyl-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-5-yl}sulfanyl)benzoate (C19H14F3N3O2S) contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 13.0, corresponding to approximately 13 ring(s) or double-bond equivalent(s). With a molecular weight of 405.39 g/mol, it falls into the moderately-high-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
CATO supplies Methyl 2-({6-methyl-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-5-yl}sulfanyl)benzoate (CAS 339103-77-4), a certified reference material (molecular formula C19H14F3N3O2S, MW 405.39 g/mol) for analytical method development and quality control.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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.
Physical & Chemical Properties
| Molecular Formula | C19H14F3N3O2S |
| Molecular Weight | 405.39 g/mol |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°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) | 13.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
Recommended Standards
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Why CATO?
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