3-Methoxy-3-(3,4,5-trifluorophenyl)propiophenone CAS 898777-66-7
| CAS No. | 898777-66-7 |
| Molecular Formula | C16H13F3O2 |
| Molecular Weight | 294.27 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 3-Methoxy-3-(3,4,5-trifluorophenyl)propiophenone is closely related to a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, a polycyclic aromatic system in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
3-Methoxy-3-(3,4,5-trifluorophenyl)propiophenone (CAS 898777-66-7) is a high-purity analytical reference standard with the molecular formula C16H13F3O2 and a molecular weight of 294.27 g/mol.
Structurally, 3-Methoxy-3-(3,4,5-trifluorophenyl)propiophenone (C16H13F3O2) contains a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, a polycyclic aromatic system. The molecule exhibits a degree of unsaturation (DBE) of 9.0, corresponding to approximately 9 ring(s) or double-bond equivalent(s). With a molecular weight of 294.27 g/mol, it falls into the medium-molecular-weight range. 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 | C16H13F3O2 |
| Molecular Weight | 294.27 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, 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.) | 1987 |
| Halogen Content | F-containing |
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- (2Z)-8-Methoxy-2-(phenylimino)-2H-chromene-3-carboxamide (CAS 313956-49-9)
- 1-(2-Methoxy-6-nitrobenzyl)isoquinoline (CAS 60967-82-0)
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Recommended Standards
- 3-Amino-4-methyl-n-[3-(trifluoromethyl)phenyl]benzamide (CAS 23410-19-7)
- 4-(((1R,2S)-2-Cyanocyclohexyl)oxy)-2-(trifluoromethyl)benzonitrile (CAS 956004-50-5)
- 3-(4-Methoxyphenyl)-1-(3,4,5-trifluorophenyl)propan-1-one (CAS 898776-46-0)
- 4-(Triisopropylsilyloxy)phenyl boronic acid, 97% (CAS 643090-93-1)
- 2-(Difluoromethyl)-3-fluoro-5-iodopyridine-4-sulfonamide (CAS 1805046-56-3)
- 4-(4-Methoxybenzyl)thiomorpholine-3,5-dione 1,1-dioxide (CAS 338953-74-5)
- 2-Butyl-5-methyl-1H-indazol-3(2H)-one (CAS 89438-59-5)
- 2-(Aminomethyl)-3-methylpentan-1-ol (CAS 1351384-72-9)
- tert-butyl 4-cyano-4-(4-oxooxolan-3-yl)piperidine-1-carboxylate (CAS 1909336-54-4)
- Venlafaxine N-Oxide (CAS 1094598-37-4)
- 4-Fluoro-2-thiomorpholinomethyl benzophenone (CAS 898781-80-1)
- (2S)-2-Amino-N-((1-benzylpiperidin-3-yl)methyl)-N-ethyl-3-methylbutanamide (CAS 1354028-25-3)
- 7-Methoxy-4-methyl-1H-indole (CAS 360070-91-3)
- Semaglutide Impurity 183 (CAS 159541-28-3)
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