3-Chloro-4-(methylsulfonyl)thiophene-2-carboxylic acid CAS 175201-86-2
| CAS No. | 175201-86-2 |
| Molecular Formula | C6H5ClO4S2 |
| Molecular Weight | 240.68 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
3-Chloro-4-(methylsulfonyl)thiophene-2-carboxylic acid (CAS 175201-86-2), molecular formula C6H5ClO4S2 and molecular weight 240.68 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 3-Chloro-4-(methylsulfonyl)thiophene-2-carboxylic acid (C6H5ClO4S2) contains a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, chlorine substitution, an aromatic ring system. The molecule exhibits a degree of unsaturation (DBE) of 4.0, corresponding to approximately 4 ring(s) or double-bond equivalent(s). With a molecular weight of 240.68 g/mol, it falls into the medium-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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 | C6H5ClO4S2 |
| Molecular Weight | 240.68 g/mol |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), 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; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 4.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2007 |
| Halogen Content | Cl-containing |
| Sulfur Atoms | 2 |
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