5-Iodo-2-methoxyphenyl 4-methyl benzenesulfonate CAS 910629-23-1
| CAS No. | 910629-23-1 |
| Molecular Formula | C14H13IO4S |
| Molecular Weight | 404.22 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 404.22 g/mol gives 5-Iodo-2-methoxyphenyl 4-methyl benzenesulfonate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
5-Iodo-2-methoxyphenyl 4-methyl benzenesulfonate (CAS 910629-23-1), molecular formula C14H13IO4S and molecular weight 404.22 g/mol, is a CATO reference standard with documented purity and traceability.
5-Iodo-2-methoxyphenyl 4-methyl benzenesulfonate (C14H13IO4S) contains a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, iodine substitution, a polycyclic aromatic 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.
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 | C14H13IO4S |
| Molecular Weight | 404.22 g/mol |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), protect from light, keep sealed and dry |
| 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) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | I-containing |
| Sulfur Atoms | 1 |
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Recommended Standards
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- 3-Amino-5-fluoro-2-methylbenzonitrile (CAS 1227269-31-9)
- 6-Amino-N-((3-oxo-2,3-dihydroisoxazol-5-yl)methyl)hexanamide (CAS 919832-74-9)
- methyl 4-fluoro-3-iodo-1H-indazole-6-carboxylate (CAS 885521-35-7)
- 2-(2-Methylphenoxy)-5-(trifluoromethyl)aniline (CAS 401-20-7)
- 4-[(4-Aminopiperidin-1-yl)methyl]-2-ethoxyphenol (CAS 946773-85-9)
- Cyclopeptide-5 (CAS 197172-76-2)
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