Methyl 6-fluoro-3-methylbenzo[b]thiophene-2-carboxylate CAS 863119-54-4
| CAS No. | 863119-54-4 |
| Molecular Formula | C11H9FO2S |
| Molecular Weight | 224.25 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
CATO supplies Methyl 6-fluoro-3-methylbenzo[b]thiophene-2-carboxylate (CAS 863119-54-4), a certified reference material (molecular formula C11H9FO2S, MW 224.25 g/mol) for analytical method development and quality control.
Owing to a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, an aromatic ring system, Methyl 6-fluoro-3-methylbenzo[b]thiophene-2-carboxylate is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 224.25 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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.
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 | C11H9FO2S |
| Molecular Weight | 224.25 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| 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) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F-containing |
| Sulfur Atoms | 1 |
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