1,3-dimethyl-6,7-dihydro-2-benzothiophen-4-yl trifluoromethanesulfonate CAS 245744-28-9
| CAS No. | 245744-28-9 |
| Molecular Formula | C11H11F3O3S2 |
| Molecular Weight | 312.33 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
As a certified reference material (CRM), 1,3-dimethyl-6,7-dihydro-2-benzothiophen-4-yl trifluoromethanesulfonate 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.
1,3-dimethyl-6,7-dihydro-2-benzothiophen-4-yl trifluoromethanesulfonate (CAS 245744-28-9), molecular formula C11H11F3O3S2 and molecular weight 312.33 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 1,3-dimethyl-6,7-dihydro-2-benzothiophen-4-yl trifluoromethanesulfonate (C11H11F3O3S2) contains a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, an aromatic ring system. The molecule exhibits a degree of unsaturation (DBE) of 5.0, corresponding to approximately 5 ring(s) or double-bond equivalent(s). With a molecular weight of 312.33 g/mol, it falls into the moderately-high-molecular-weight range. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
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.
Physical & Chemical Properties
| Molecular Formula | C11H11F3O3S2 |
| Molecular Weight | 312.33 g/mol |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), keep sealed and dry |
| Solubility (reference) | Soluble in methanol, ethanol, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 5.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F-containing |
| Sulfur Atoms | 2 |
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