5-Iodo-3-methyl-2,3-dihydro-1,3-benzoxazol-2-one CAS 1246685-37-9
| CAS No. | 1246685-37-9 |
| Molecular Formula | C8H6INO2 |
| Molecular Weight | 275.04 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
5-Iodo-3-methyl-2,3-dihydro-1,3-benzoxazol-2-one (CAS 1246685-37-9), molecular formula C8H6INO2 and molecular weight 275.04 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C8H6INO2, 5-Iodo-3-methyl-2,3-dihydro-1,3-benzoxazol-2-one contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, iodine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 275.04 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.
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 manufactures 5-Iodo-3-methyl-2,3-dihydro-1,3-benzoxazol-2-one under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C8H6INO2 |
| Molecular Weight | 275.04 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.) | 1990 |
| Halogen Content | I-containing |
| Nitrogen Atoms | 1 |
Related Iodo Standards
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