| CAS No. | 957014-52-7 |
| Molecular Formula | C21H17ClF3N5S |
| Molecular Weight | 463.91 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Owing to a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine/chlorine substitution, 3-((3-Chlorobenzyl)thio)-4-ethyl-5-(1-phenyl-5-(trifluoromethyl)-1H-pyrazol-4-yl)-4H-1,2,4-triazole is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 463.91 g/mol — guide the selection of appropriate sample preparation and analytical techniques. 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).
CATO supplies 3-((3-Chlorobenzyl)thio)-4-ethyl-5-(1-phenyl-5-(trifluoromethyl)-1H-pyrazol-4-yl)-4H-1,2,4-triazole (CAS 957014-52-7), a certified reference material (molecular formula C21H17ClF3N5S, MW 463.91 g/mol) for analytical method development and quality control.
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.
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 | C21H17ClF3N5S |
| Molecular Weight | 463.91 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 14.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 5 |
| Sulfur Atoms | 1 |