6-Chlorothiochroman-4-one 1,1-dioxide CAS 90396-06-8
| CAS No. | 90396-06-8 |
| Molecular Formula | C9H7ClO3S |
| Molecular Weight | 230.67 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 230.67 g/mol gives 6-Chlorothiochroman-4-one 1,1-dioxide distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
6-Chlorothiochroman-4-one 1,1-dioxide (CAS 90396-06-8), molecular formula C9H7ClO3S and molecular weight 230.67 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 6-Chlorothiochroman-4-one 1,1-dioxide (C9H7ClO3S) is characterized by a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, chlorine substitution, an aromatic ring system. In reversed-phase chromatography, its retention is governed primarily by the polarity and ionization state of its functional groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. 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 | C9H7ClO3S |
| Molecular Weight | 230.67 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 |
| 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) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1982 |
| Halogen Content | Cl-containing |
| Sulfur Atoms | 1 |
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