2-((4-Chloro-3-(trifluoromethyl)phenyl)amino)-2-oxoethyl 2-(methylthio)nicotinate CAS 438596-96-4
| CAS No. | 438596-96-4 |
| Molecular Formula | C16H12ClF3N2O3S |
| Molecular Weight | 404.79 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
2-((4-Chloro-3-(trifluoromethyl)phenyl)amino)-2-oxoethyl 2-(methylthio)nicotinate (CAS 438596-96-4) is a high-purity analytical reference standard with the molecular formula C16H12ClF3N2O3S and a molecular weight of 404.79 g/mol.
The molecular framework of 2-((4-Chloro-3-(trifluoromethyl)phenyl)amino)-2-oxoethyl 2-(methylthio)nicotinate (C16H12ClF3N2O3S) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, 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.
CATO manufactures 2-((4-Chloro-3-(trifluoromethyl)phenyl)amino)-2-oxoethyl 2-(methylthio)nicotinate 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 | C16H12ClF3N2O3S |
| Molecular Weight | 404.79 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) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
Related Chloro Standards
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