5-Bromo-3-methylbenzo[d]oxazol-2(3H)-one CAS 70672-82-1
| CAS No. | 70672-82-1 |
| Molecular Formula | C8H6BrNO2 |
| Molecular Weight | 228.04 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Based on its molecular formula C8H6BrNO2, 5-Bromo-3-methylbenzo[d]oxazol-2(3H)-one contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, bromine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 228.04 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
5-Bromo-3-methylbenzo[d]oxazol-2(3H)-one (CAS 70672-82-1) is a high-purity analytical reference standard with the molecular formula C8H6BrNO2 and a molecular weight of 228.04 g/mol.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
As a certified reference material (CRM), 5-Bromo-3-methylbenzo[d]oxazol-2(3H)-one meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C8H6BrNO2 |
| Molecular Weight | 228.04 g/mol |
| Appearance | Off-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 methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1977 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 1 |
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