Methyl 4-Oxo-1-(2,4,5-trifluorophenyl)cyclohexanecarboxylate CAS 1385694-46-1
| CAS No. | 1385694-46-1 |
| Molecular Formula | C14H13F3O3 |
| Molecular Weight | 286.25 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.
Methyl 4-Oxo-1-(2,4,5-trifluorophenyl)cyclohexanecarboxylate (CAS 1385694-46-1) is a high-purity analytical reference standard with the molecular formula C14H13F3O3 and a molecular weight of 286.25 g/mol.
The molecular framework of Methyl 4-Oxo-1-(2,4,5-trifluorophenyl)cyclohexanecarboxylate (C14H13F3O3) is characterized by a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, a polycyclic aromatic system. 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 aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
As a certified reference material (CRM), Methyl 4-Oxo-1-(2,4,5-trifluorophenyl)cyclohexanecarboxylate meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C14H13F3O3 |
| Molecular Weight | 286.25 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, 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; 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 | F-containing |
Recommended Standards
- 1-Benzyl-3-(2,2,2-trifluoro-ethyl)-piperazine-2,5-dione (CAS 1279816-44-2)
- 4-Oxo-1-[4-(trifluoromethyl)phenyl]cyclohexanecarboxylic Acid (CAS 1385694-50-7)
- Methyl 3,3,3-trifluoro-2-(2-methylindol-3-yl)alaninate (CAS 1262415-77-9)
- 4-Oxo-1-[3-(trifluoromethyl)phenyl]cyclohexanecarboxylic Acid (CAS 1385694-77-8)
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