3-Chloro-2-{[7-(4-nitrophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]sulfanyl}-5-(trifluoromethyl)pyridine CAS 338775-10-3
| CAS No. | 338775-10-3 |
| Molecular Formula | C17H8ClF3N6O2S |
| Molecular Weight | 452.80 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 3-Chloro-2-{[7-(4-nitrophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]sulfanyl}-5-(trifluoromethyl)pyridine is closely related to a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
3-Chloro-2-{[7-(4-nitrophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]sulfanyl}-5-(trifluoromethyl)pyridine (CAS 338775-10-3) is a high-purity analytical reference standard with the molecular formula C17H8ClF3N6O2S and a molecular weight of 452.80 g/mol.
Structurally, 3-Chloro-2-{[7-(4-nitrophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]sulfanyl}-5-(trifluoromethyl)pyridine (C17H8ClF3N6O2S) contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 15.0, corresponding to approximately 15 ring(s) or double-bond equivalent(s). With a molecular weight of 452.80 g/mol, it falls into the moderately-high-molecular-weight range. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
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 | C17H8ClF3N6O2S |
| Molecular Weight | 452.80 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) | 15.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 6 |
| Sulfur Atoms | 1 |
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Recommended Standards
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- Netupitant Impurity 62 (CAS CATO-C4X-122362)
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- (2-Methoxybenzyl)(4-methylbenzyl)amine (CAS 353777-77-2)
- Beta-Cyclogeraniol (CAS 472-20-8)
- 1-Cyclopentyl-4-iodo-5-(trifluoromethyl)-1H-pyrazol-3-amine (CAS 1354704-19-0)
- 3'-Chloro-4'-methyl-[1,1'-biphenyl]-4-carboxylic acid (CAS 885962-94-7)
- Semaglutide Impurity 189 (CAS CATO-C4X-2226189)
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