4-(4-Bromo-2-chlorophenyl)-3-sulfanyl-4,5-dihydro-1h-1,2,4-triazol-5-one CAS 1339113-49-3
| CAS No. | 1339113-49-3 |
| Molecular Formula | C8H5BrClN3OS |
| Molecular Weight | 306.57 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
4-(4-Bromo-2-chlorophenyl)-3-sulfanyl-4,5-dihydro-1h-1,2,4-triazol-5-one (C8H5BrClN3OS) contains a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, chlorine/bromine substitution. Halogen substitution raises its density and boiling point; these physicochemical properties determine the optimal preparation and storage of its standard solutions. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
4-(4-Bromo-2-chlorophenyl)-3-sulfanyl-4,5-dihydro-1h-1,2,4-triazol-5-one (CAS 1339113-49-3), molecular formula C8H5BrClN3OS and molecular weight 306.57 g/mol, is a CATO reference standard with documented purity and traceability.
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 | C8H5BrClN3OS |
| Molecular Weight | 306.57 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) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1991 |
| Halogen Content | Cl/Br-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
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