Methyl 3-bromo-4-(((trifluoromethyl)sulfonyl)oxy)-5-(trimethylsilyl)benzoate CAS 1242069-33-5
| CAS No. | 1242069-33-5 |
| Molecular Formula | C12H14BrF3O5SSi |
| Molecular Weight | 435.29 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of Methyl 3-bromo-4-(((trifluoromethyl)sulfonyl)oxy)-5-(trimethylsilyl)benzoate is closely related to a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine/bromine substitution, an aromatic ring system in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
Methyl 3-bromo-4-(((trifluoromethyl)sulfonyl)oxy)-5-(trimethylsilyl)benzoate (CAS 1242069-33-5) is a high-purity analytical reference standard with the molecular formula C12H14BrF3O5SSi and a molecular weight of 435.29 g/mol.
Owing to a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine/bromine substitution, an aromatic ring system, Methyl 3-bromo-4-(((trifluoromethyl)sulfonyl)oxy)-5-(trimethylsilyl)benzoate is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 435.29 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.
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 | C12H14BrF3O5SSi |
| Molecular Weight | 435.29 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) | 4.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1990 |
| Halogen Content | F/Br-containing |
| Sulfur Atoms | 1 |
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