trans-Methyl 2-[4-[4-[(trifluoromethylsulfonyl)oxy]phenyl]cyclohexyl]acetate CAS 701232-68-0
| CAS No. | 701232-68-0 |
| Molecular Formula | C16H19F3O5S |
| Molecular Weight | 380.38 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
trans-Methyl 2-[4-[4-[(trifluoromethylsulfonyl)oxy]phenyl]cyclohexyl]acetate (CAS 701232-68-0), molecular formula C16H19F3O5S and molecular weight 380.38 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, trans-Methyl 2-[4-[4-[(trifluoromethylsulfonyl)oxy]phenyl]cyclohexyl]acetate (C16H19F3O5S) contains a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, an aromatic ring system. The molecule exhibits a degree of unsaturation (DBE) of 6.0, corresponding to approximately 6 ring(s) or double-bond equivalent(s). With a molecular weight of 380.38 g/mol, it falls into the moderately-high-molecular-weight range. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C16H19F3O5S |
| Molecular Weight | 380.38 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; 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.) | 1985 |
| Halogen Content | F-containing |
| Sulfur Atoms | 1 |
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