4-Oxo-1-[4-(trifluoromethyl)phenyl]cyclohexanecarboxylic Acid CAS 1385694-50-7
| CAS No. | 1385694-50-7 |
| Molecular Formula | C14H13F3O3 |
| Molecular Weight | 286.25 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
4-Oxo-1-[4-(trifluoromethyl)phenyl]cyclohexanecarboxylic Acid (CAS 1385694-50-7) is a high-purity analytical reference standard with the molecular formula C14H13F3O3 and a molecular weight of 286.25 g/mol.
Based on its molecular formula C14H13F3O3, 4-Oxo-1-[4-(trifluoromethyl)phenyl]cyclohexanecarboxylic Acid contains a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, a polycyclic aromatic system; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 286.25 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
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.
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 | 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 |
Related Oxo Standards
- 4-Oxo-1-[3-(trifluoromethyl)phenyl]cyclohexanecarboxylic Acid (CAS 1385694-77-8)
- 5-oxo-1-{[2-(trifluoromethyl)phenyl]methyl}pyrrolidine-3-carboxamide (CAS 1803572-06-6)
- 3-Oxo-1-(4-(trifluoromethyl)phenyl)cyclohexanecarboxylic acid (CAS 1956325-10-2)
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- 1-(5-(Trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-amine (CAS 1710529-50-2)
- Methyl 5-(3-(trifluoromethyl)phenyl)thiophene-2-carboxylate (CAS 1024448-98-3)
Recommended Standards
- Methyl 4-Oxo-1-(2,4,5-trifluorophenyl)cyclohexanecarboxylate (CAS 1385694-46-1)
- 1-Benzyl-3-(2,2,2-trifluoro-ethyl)-piperazine-2,5-dione (CAS 1279816-44-2)
- 1-Isopropyl-2-trifluoromethyl-1H-benzoimidazole-5-carboxylic acid methyl ester (CAS 1390621-32-5)
- Methyl 3,3,3-trifluoro-2-(2-methylindol-3-yl)alaninate (CAS 1262415-77-9)
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