Ethyl 3-(4-ethynyl-2-fluorophenyl)propanoate CAS 1823256-58-1
| CAS No. | 1823256-58-1 |
| Molecular Formula | C13H13FO2 |
| Molecular Weight | 220.24 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 220.24 g/mol gives Ethyl 3-(4-ethynyl-2-fluorophenyl)propanoate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
CATO supplies Ethyl 3-(4-ethynyl-2-fluorophenyl)propanoate (CAS 1823256-58-1), a certified reference material (molecular formula C13H13FO2, MW 220.24 g/mol) for analytical method development and quality control.
Structurally, Ethyl 3-(4-ethynyl-2-fluorophenyl)propanoate (C13H13FO2) contains a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, an aromatic ring system. The molecule exhibits a degree of unsaturation (DBE) of 7.0, corresponding to approximately 7 ring(s) or double-bond equivalent(s). With a molecular weight of 220.24 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 | C13H13FO2 |
| Molecular Weight | 220.24 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor) |
| 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) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1995 |
| Halogen Content | F-containing |
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- 7-Fluorospiro[indoline-3,4'-piperidin]-2-one (CAS 1707361-82-7)
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- Calcitriol Impurity 15 (CAS 214351-86-7)
- 1-(Chloromethoxy)-4-nitrobenzene (CAS 14790-63-7)
- (E)-1,1,1-Trifluoro-4-(thiophen-2-yl)but-3-en-2-one (CAS 209967-65-7)
- n-(4-Bromo-3-methylphenyl)-4-ethyl-1,2,3-thiadiazole-5-carboxamide (CAS 930710-37-5)
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- Semaglutide impurity 215 (CAS CATO-C4X-2226215)
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