5-fluoro-3-methyl-3H-isobenzofuran-1-one CAS 2231233-89-7
| CAS No. | 2231233-89-7 |
| Molecular Formula | C9H13FO2 |
| Molecular Weight | 172.20 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
5-fluoro-3-methyl-3H-isobenzofuran-1-one (CAS 2231233-89-7), molecular formula C9H13FO2 and molecular weight 172.20 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C9H13FO2, 5-fluoro-3-methyl-3H-isobenzofuran-1-one contains a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 172.20 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.
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 | C9H13FO2 |
| Molecular Weight | 172.20 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | May oxidize slowly on prolonged air exposure; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 3.0 |
| UV Absorption | UV-absorbing |
| CAS Registry Year (est.) | 1998 |
| Halogen Content | F-containing |
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Recommended Standards
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