4-Amino-3-{[(4-bromophenyl)methyl]sulfanyl}-4,5-dihydro-1,2,4-triazin-5-one CAS 691860-50-1
| CAS No. | 691860-50-1 |
| Molecular Formula | C10H9BrN4OS |
| Molecular Weight | 313.17 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
4-Amino-3-{[(4-bromophenyl)methyl]sulfanyl}-4,5-dihydro-1,2,4-triazin-5-one (CAS 691860-50-1), molecular formula C10H9BrN4OS and molecular weight 313.17 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C10H9BrN4OS, 4-Amino-3-{[(4-bromophenyl)methyl]sulfanyl}-4,5-dihydro-1,2,4-triazin-5-one contains a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, bromine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 313.17 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C10H9BrN4OS |
| Molecular Weight | 313.17 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) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1985 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 1 |
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