cis-3-[2-Oxo-2-(3-trifluoromethylphenyl)-ethyl]cyclohexane-1-carboxylic acid CAS 735275-41-9
| CAS No. | 735275-41-9 |
| Molecular Formula | C16H17F3O3 |
| Molecular Weight | 314.30 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Based on its molecular formula C16H17F3O3, cis-3-[2-Oxo-2-(3-trifluoromethylphenyl)-ethyl]cyclohexane-1-carboxylic 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 314.30 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
CATO supplies cis-3-[2-Oxo-2-(3-trifluoromethylphenyl)-ethyl]cyclohexane-1-carboxylic acid (CAS 735275-41-9), a certified reference material (molecular formula C16H17F3O3, MW 314.30 g/mol) for analytical method development and quality control.
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 | C16H17F3O3 |
| Molecular Weight | 314.30 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; 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.) | 1986 |
| Halogen Content | F-containing |
Recommended Standards
- cis-3-[2-Oxo-2-(2-trifluoromethylphenyl)-ethyl]cyclohexane-1-carboxylic acid (CAS 735275-40-8)
- cis-4-[2-Oxo-2-(2-trifluoromethylphenyl)-ethyl]cyclohexane-1-carboxylic acid (CAS 735275-68-0)
- cis-2-[2-Oxo-2-(4-trifluoromethylphenyl)-ethyl]cyclohexane-1-carboxylic acid (CAS 735274-64-3)
- cis-4-[2-Oxo-2-(3-trifluoromethylphenyl)-ethyl]cyclohexane-1-carboxylic acid (CAS 735275-69-1)
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