Ethyl 2-(4-fluorophenyl)-6-nitro-5-(((trifluoromethyl)sulfonyl)oxy)benzofuran-3-carboxylate CAS 691857-51-9
| CAS No. | 691857-51-9 |
| Molecular Formula | C18H11F4NO8S |
| Molecular Weight | 477.34 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of Ethyl 2-(4-fluorophenyl)-6-nitro-5-(((trifluoromethyl)sulfonyl)oxy)benzofuran-3-carboxylate is closely related to a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
CATO supplies Ethyl 2-(4-fluorophenyl)-6-nitro-5-(((trifluoromethyl)sulfonyl)oxy)benzofuran-3-carboxylate (CAS 691857-51-9), a certified reference material (molecular formula C18H11F4NO8S, MW 477.34 g/mol) for analytical method development and quality control.
Owing to a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution, Ethyl 2-(4-fluorophenyl)-6-nitro-5-(((trifluoromethyl)sulfonyl)oxy)benzofuran-3-carboxylate is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 477.34 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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 | C18H11F4NO8S |
| Molecular Weight | 477.34 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| 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) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1985 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
Related Ethyl Standards
- 2-(4-Fluorophenyl)-1-(2-((3-methoxy-4-(4-methyl-1H-imidazol-1-yl)phenyl)amino)-6,7-dihydrothiazolo[5,4-c]pyridin-5(4H)-yl)ethanone (CAS 1077629-25-4)
- 2-{[(4-fluorophenyl)methyl]sulfanyl}-6-[(E)-2-(4-methylphenyl)ethenyl]-4-[(Z)-2-(4-methylphenyl)ethenyl]pyridine-3-carbonitrile (CAS 303985-29-7)
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Recommended Standards
- 3-{3-[(2-chloro-6-fluorophenyl)methoxy]phenyl}-1-(4-chlorobenzenesulfonyl)-1H-pyrazole (CAS 477712-73-5)
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- 3-{3-[(2,4-dichlorophenyl)methoxy]phenyl}-1-(4-fluorobenzenesulfonyl)-1H-pyrazole (CAS 956964-63-9)
- 1-(4-Bromo-2-methylphenyl)-3-(1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl)urea (CAS 1796890-25-9)
- 3-Bromo-N-(thieno[2,3-d]pyrimidin-4-yl)benzamide (CAS 1003159-88-3)
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- Docos-21-en-1-yltriethoxysilane (CAS 330457-44-8)
- Y5 (CAS 2304444-48-0)
- n-(4-(1h-Imidazol-1-yl)phenyl)methanesulfonamide (CAS 1247234-49-6)
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- 6,6-difluoro-1-methyl-1,4-diazepane dihydrochloride (CAS 2227206-69-9)
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