| CAS No. | 443740-40-7 |
| Molecular Formula | C21H15BrClN3S |
| Molecular Weight | 456.79 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
The occurrence of 3-(2-Bromophenyl)-5-((4-chlorobenzyl)thio)-4-phenyl-4H-1,2,4-triazole is closely related to a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, chlorine/bromine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
3-(2-Bromophenyl)-5-((4-chlorobenzyl)thio)-4-phenyl-4H-1,2,4-triazole (CAS 443740-40-7) is a high-purity analytical reference standard with the molecular formula C21H15BrClN3S and a molecular weight of 456.79 g/mol.
Based on its molecular formula C21H15BrClN3S, 3-(2-Bromophenyl)-5-((4-chlorobenzyl)thio)-4-phenyl-4H-1,2,4-triazole contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, chlorine/bromine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 456.79 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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 | C21H15BrClN3S |
| Molecular Weight | 456.79 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 | Cl/Br-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |