N-(4-chloro-3-nitrophenyl)-4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]tetrahydropyrazine-1(2H)-carbothioamide CAS 260442-15-7
| CAS No. | 260442-15-7 |
| Molecular Formula | C17H14Cl2F3N5O2S |
| Molecular Weight | 480.29 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 480.29 g/mol gives N-(4-chloro-3-nitrophenyl)-4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]tetrahydropyrazine-1(2H)-carbothioamide distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
N-(4-chloro-3-nitrophenyl)-4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]tetrahydropyrazine-1(2H)-carbothioamide (CAS 260442-15-7) is a high-purity analytical reference standard with the molecular formula C17H14Cl2F3N5O2S and a molecular weight of 480.29 g/mol.
N-(4-chloro-3-nitrophenyl)-4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]tetrahydropyrazine-1(2H)-carbothioamide (C17H14Cl2F3N5O2S) contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution. It is notably hygroscopic, halogen substitution raises its density and boiling point, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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 | C17H14Cl2F3N5O2S |
| Molecular Weight | 480.29 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) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 5 |
| Sulfur Atoms | 1 |
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