| CAS No. | 641639-55-6 |
| Molecular Formula | C19H15F3N2O2S |
| Molecular Weight | 392.39 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
The occurrence of Methyl 5-(4-(methylthio)phenyl)-1-(4-(trifluoromethyl)phenyl)-1H-pyrazole-3-carboxylate is closely related to a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
Methyl 5-(4-(methylthio)phenyl)-1-(4-(trifluoromethyl)phenyl)-1H-pyrazole-3-carboxylate (CAS 641639-55-6), molecular formula C19H15F3N2O2S and molecular weight 392.39 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of Methyl 5-(4-(methylthio)phenyl)-1-(4-(trifluoromethyl)phenyl)-1H-pyrazole-3-carboxylate (C19H15F3N2O2S) is characterized by a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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.
| Molecular Formula | C19H15F3N2O2S |
| Molecular Weight | 392.39 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) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1985 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |