1-(Difluoro(phenylsulfonyl)methyl)-3,3-dimethyl-1,3-dihydro-1lambda3-benzo[d][1,2]iodaoxole CAS 1052174-67-0
| CAS No. | 1052174-67-0 |
| Molecular Formula | C16H15F2IO3S |
| Molecular Weight | 452.25 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
1-(Difluoro(phenylsulfonyl)methyl)-3,3-dimethyl-1,3-dihydro-1lambda3-benzo[d][1,2]iodaoxole (CAS 1052174-67-0), molecular formula C16H15F2IO3S and molecular weight 452.25 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, a polycyclic aromatic system, 1-(Difluoro(phenylsulfonyl)methyl)-3,3-dimethyl-1,3-dihydro-1lambda3-benzo[d][1,2]iodaoxole is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 452.25 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 | C16H15F2IO3S |
| Molecular Weight | 452.25 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature, 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; 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.) | 1988 |
| Halogen Content | F/I-containing |
| Sulfur Atoms | 1 |
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