5-Methylsulfonyl-2-[((R)-2,2,2-trifluoro-1-methylethyl)oxy]benzoic acid methyl ester CAS 845617-21-2
| CAS No. | 845617-21-2 |
| Molecular Formula | C12H13F3O5S |
| Molecular Weight | 326.29 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
As a certified reference material (CRM), 5-Methylsulfonyl-2-[((R)-2,2,2-trifluoro-1-methylethyl)oxy]benzoic acid methyl ester 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.
5-Methylsulfonyl-2-[((R)-2,2,2-trifluoro-1-methylethyl)oxy]benzoic acid methyl ester (CAS 845617-21-2) is a high-purity analytical reference standard with the molecular formula C12H13F3O5S and a molecular weight of 326.29 g/mol.
Owing to a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, an aromatic ring system, 5-Methylsulfonyl-2-[((R)-2,2,2-trifluoro-1-methylethyl)oxy]benzoic acid methyl ester is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 326.29 g/mol — guide the selection of appropriate sample preparation and analytical techniques. 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 | C12H13F3O5S |
| Molecular Weight | 326.29 g/mol |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), keep sealed and dry |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| 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) | 5.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F-containing |
| Sulfur Atoms | 1 |
Related Methylsulfonyl Standards
- 5-Methylsulfonyl-2-(2,2,2-trifluoro-1-methylethoxy)benzoic acid methyl ester (CAS 845617-19-8)
- 5-Methylsulfonyl-2-[((S)-2,2,2-trifluoro-1-methylethyl)oxy]benzoic acid methyl ester (CAS 845617-20-1)
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Recommended Standards
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