Methyl 1-(2-Bromo-5-chlorophenyl)-4-oxocyclohexanecarboxylate CAS 1385694-72-3
| CAS No. | 1385694-72-3 |
| Molecular Formula | C14H14BrClO3 |
| Molecular Weight | 345.62 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
Methyl 1-(2-Bromo-5-chlorophenyl)-4-oxocyclohexanecarboxylate (CAS 1385694-72-3), molecular formula C14H14BrClO3 and molecular weight 345.62 g/mol, is a CATO reference standard with documented purity and traceability.
Methyl 1-(2-Bromo-5-chlorophenyl)-4-oxocyclohexanecarboxylate (C14H14BrClO3) contains a carboxylic acid group, a hydroxyl group, an ether linkage, chlorine/bromine 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. 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 | C14H14BrClO3 |
| Molecular Weight | 345.62 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°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) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1991 |
| Halogen Content | Cl/Br-containing |
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