Methyl 3-[4-(ethoxycarbonyl)-3-fluorophenyl]-2-fluorobenzoate CAS 1381944-56-4
| CAS No. | 1381944-56-4 |
| Molecular Formula | C17H14F2O4 |
| Molecular Weight | 320.29 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Methyl 3-[4-(ethoxycarbonyl)-3-fluorophenyl]-2-fluorobenzoate (C17H14F2O4) contains a flavonoid core, a hydroxyl group, an ether linkage, fluorine substitution. Halogen substitution raises its density and boiling point, its high carbon-to-hydrogen ratio confers good lipid solubility, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
Methyl 3-[4-(ethoxycarbonyl)-3-fluorophenyl]-2-fluorobenzoate (CAS 1381944-56-4) is a high-purity analytical reference standard with the molecular formula C17H14F2O4 and a molecular weight of 320.29 g/mol.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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 | C17H14F2O4 |
| Molecular Weight | 320.29 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 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) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1991 |
| Halogen Content | F-containing |
Related Methyl Standards
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Recommended Standards
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- 1-Methyl-4-nitro-1H-pyrazole-5-carboxylic acid (CAS 92534-69-5)
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- 2-Chloro-6-ethyl-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile (CAS 1279214-95-7)
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