Dimethyl {2-[4-(methylsulfonyl)-phenyl]-2-oxoethyl}malonate CAS 173776-65-3
| CAS No. | 173776-65-3 |
| Molecular Formula | C14H16O7S |
| Molecular Weight | 328.34 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including Dimethyl {2-[4-(methylsulfonyl)-phenyl]-2-oxoethyl}malonate.
Dimethyl {2-[4-(methylsulfonyl)-phenyl]-2-oxoethyl}malonate (CAS 173776-65-3), molecular formula C14H16O7S and molecular weight 328.34 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, Dimethyl {2-[4-(methylsulfonyl)-phenyl]-2-oxoethyl}malonate (C14H16O7S) contains a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, a polycyclic aromatic system. The molecule exhibits a degree of unsaturation (DBE) of 7.0, corresponding to approximately 7 ring(s) or double-bond equivalent(s). With a molecular weight of 328.34 g/mol, it falls into the moderately-high-molecular-weight range. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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 | C14H16O7S |
| Molecular Weight | 328.34 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening |
| Degree of Unsaturation (DBE) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2006 |
| Sulfur Atoms | 1 |
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