6-[2-Chloro-4-(methylthio)phenyl]-6-oxohexanoic acid CAS 951889-94-4
| CAS No. | 951889-94-4 |
| Molecular Formula | C13H15ClO3S |
| Molecular Weight | 286.77 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
6-[2-Chloro-4-(methylthio)phenyl]-6-oxohexanoic acid (CAS 951889-94-4), molecular formula C13H15ClO3S and molecular weight 286.77 g/mol, is a CATO reference standard with documented purity and traceability.
6-[2-Chloro-4-(methylthio)phenyl]-6-oxohexanoic acid (C13H15ClO3S) contains a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, chlorine substitution, an aromatic ring system. It is notably hygroscopic, halogen substitution raises its density and boiling point, its high carbon-to-hydrogen ratio confers good lipid solubility, 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.
As a certified reference material (CRM), 6-[2-Chloro-4-(methylthio)phenyl]-6-oxohexanoic acid 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 | C13H15ClO3S |
| Molecular Weight | 286.77 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 chloroform, dichloromethane, ethyl acetate, 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.) | 1987 |
| Halogen Content | Cl-containing |
| Sulfur Atoms | 1 |
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