| CAS No. | 344270-29-7 |
| Molecular Formula | C23H19ClFN3S2 |
| Molecular Weight | 456.00 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
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.
CATO supplies 3-(((4-Chlorobenzyl)thio)methyl)-5-((4-fluorobenzyl)thio)-4-phenyl-4H-1,2,4-triazole (CAS 344270-29-7), a certified reference material (molecular formula C23H19ClFN3S2, MW 456.00 g/mol) for analytical method development and quality control.
Based on its molecular formula C23H19ClFN3S2, 3-(((4-Chlorobenzyl)thio)methyl)-5-((4-fluorobenzyl)thio)-4-phenyl-4H-1,2,4-triazole contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine/chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 456.00 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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.
| Molecular Formula | C23H19ClFN3S2 |
| Molecular Weight | 456.00 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) | 15.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 2 |