3-Methyl-5-(2,2,2-trifluoroethoxy)isothiazole-4-sulfonyl chloride CAS 111923-86-5
| CAS No. | 111923-86-5 |
| Molecular Formula | C6H5ClF3NO3S2 |
| Molecular Weight | 295.69 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 3-Methyl-5-(2,2,2-trifluoroethoxy)isothiazole-4-sulfonyl chloride is closely related to an amide group, a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
3-Methyl-5-(2,2,2-trifluoroethoxy)isothiazole-4-sulfonyl chloride (CAS 111923-86-5) is a high-purity analytical reference standard with the molecular formula C6H5ClF3NO3S2 and a molecular weight of 295.69 g/mol.
3-Methyl-5-(2,2,2-trifluoroethoxy)isothiazole-4-sulfonyl chloride (C6H5ClF3NO3S2) contains an amide group, a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution. It is notably hygroscopic, halogen substitution raises its density and boiling point, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. 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.
As a certified reference material (CRM), 3-Methyl-5-(2,2,2-trifluoroethoxy)isothiazole-4-sulfonyl chloride 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 | C6H5ClF3NO3S2 |
| Molecular Weight | 295.69 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, ethanol, DMSO, water |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 3.0 |
| UV Absorption | UV-absorbing |
| CAS Registry Year (est.) | 1988 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 2 |
Related Methyl Standards
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Recommended Standards
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