5-Bromo-4-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one CAS 22354-80-9
| CAS No. | 22354-80-9 |
| Molecular Formula | C3H4BrN3O |
| Molecular Weight | 177.99 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
CATO supplies 5-Bromo-4-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one (CAS 22354-80-9), a certified reference material (molecular formula C3H4BrN3O, MW 177.99 g/mol) for analytical method development and quality control.
Structurally, 5-Bromo-4-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one (C3H4BrN3O) contains an amide group, a hydroxyl group, an ether linkage, bromine substitution. The molecule exhibits a degree of unsaturation (DBE) of 3.0, corresponding to approximately 3 ring(s) or double-bond equivalent(s). With a molecular weight of 177.99 g/mol, it falls into the medium-molecular-weight range. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
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 | C3H4BrN3O |
| Molecular Weight | 177.99 g/mol |
| Appearance | White to pale yellow crystalline powder. (slight halide-like odor, faint amine-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| 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) | 3.0 |
| UV Absorption | UV-absorbing |
| CAS Registry Year (est.) | 1963 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 3 |
Related Bromo Standards
- 3-Bromo-5-methoxy-4H-1,2,4-triazole (CAS 15777-61-4)
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- (5-Bromo-1H-1,2,4-triazol-3-yl)methanol (CAS 23164-67-2)
- 3-Bromo-1-methyl-1H-1,2,4-triazol-5-ol (CAS 22354-79-6)
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- 1-Methyl-4-oxa-1,9-diazaspiro[5.5]Undecan-2-one (CAS 1391707-12-2)
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- 2-(Octahydro-1H-quinolizin-9a-yl)acetonitrile (CAS 50400-30-1)
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