| CAS No. | 585564-00-7 |
| Molecular Formula | C15H11Cl2FN4S |
| Molecular Weight | 369.24 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Compared with other compounds in its class, the molecular weight of 369.24 g/mol gives 3-(2,4-Dichlorophenyl)-5-((3-fluorobenzyl)thio)-4H-1,2,4-triazol-4-amine distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
3-(2,4-Dichlorophenyl)-5-((3-fluorobenzyl)thio)-4H-1,2,4-triazol-4-amine (CAS 585564-00-7), molecular formula C15H11Cl2FN4S and molecular weight 369.24 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 3-(2,4-Dichlorophenyl)-5-((3-fluorobenzyl)thio)-4H-1,2,4-triazol-4-amine (C15H11Cl2FN4S) is characterized by a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine/chlorine substitution. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), 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.
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.
| Molecular Formula | C15H11Cl2FN4S |
| Molecular Weight | 369.24 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, 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) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1984 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 1 |