Methyl 5-cyano-5-(2-fluorophenyl)-2-oxocyclohexanecarboxylate CAS 179064-48-3
| CAS No. | 179064-48-3 |
| Molecular Formula | C15H14FNO3 |
| Molecular Weight | 275.27 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 275.27 g/mol gives Methyl 5-cyano-5-(2-fluorophenyl)-2-oxocyclohexanecarboxylate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
Methyl 5-cyano-5-(2-fluorophenyl)-2-oxocyclohexanecarboxylate (CAS 179064-48-3), molecular formula C15H14FNO3 and molecular weight 275.27 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of Methyl 5-cyano-5-(2-fluorophenyl)-2-oxocyclohexanecarboxylate (C15H14FNO3) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. 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 | C15H14FNO3 |
| Molecular Weight | 275.27 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry, keep tightly closed to prevent evaporation |
| 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) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2008 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
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