Methyl 2-(5-iodo-2-(((trifluoromethyl)sulfonyl)oxy)phenyl)acetate CAS 2779628-23-6
| CAS No. | 2779628-23-6 |
| Molecular Formula | C10H8F3IO5S |
| Molecular Weight | 424.13 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.
Methyl 2-(5-iodo-2-(((trifluoromethyl)sulfonyl)oxy)phenyl)acetate (CAS 2779628-23-6), molecular formula C10H8F3IO5S and molecular weight 424.13 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine/iodine substitution, an aromatic ring system, Methyl 2-(5-iodo-2-(((trifluoromethyl)sulfonyl)oxy)phenyl)acetate is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 424.13 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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 | C10H8F3IO5S |
| Molecular Weight | 424.13 g/mol |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), keep sealed and dry |
| Solubility (reference) | Soluble in methanol, ethanol, DMSO |
| 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.) | 2003 |
| Halogen Content | F/I-containing |
| Sulfur Atoms | 1 |
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Recommended Standards
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- tert-Butyl n-[6-(trifluoromethyl)piperidin-3-yl]carbamate (CAS 1432681-75-8)
- Ethyl 4-(bromomethyl)thiazole-5-carboxylate (CAS 78502-77-9)
- 1-(2,4-Dimethylphenyl)-1H-imidazole-4-carboxamide (CAS 1427021-12-2)
- 4-Chloro-5-fluoro-2-methylpyridine, N-oxide (CAS 113209-89-5)
- 2-(2-(4-Bromo-2-fluorophenyl)-4-(1-isopropyl-3-methyl-1H-1,2,4-triazol-5-yl)-1H-imidazol-1-yl)ethanol (CAS 1282516-77-1)
- Chlorpromazine-13C,d3 Hydrochloride (CAS 1329612-87-4)
- N-Butyl-3,4-dimethylaniline (CAS 27285-22-9)
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- N/A (CAS CATO-CQCM104334)
- Glucagon (1-29) (CAS 16941-32-5)
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