Methyl 2-(4-fluorobenzoyl)-3-oxobutanoate CAS 676348-58-6
| CAS No. | 676348-58-6 |
| Molecular Formula | C12H11FO4 |
| Molecular Weight | 238.21 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
Methyl 2-(4-fluorobenzoyl)-3-oxobutanoate (CAS 676348-58-6) is a high-purity analytical reference standard with the molecular formula C12H11FO4 and a molecular weight of 238.21 g/mol.
Structurally, Methyl 2-(4-fluorobenzoyl)-3-oxobutanoate (C12H11FO4) 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 238.21 g/mol, it falls into the medium-molecular-weight range. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
As a certified reference material (CRM), Methyl 2-(4-fluorobenzoyl)-3-oxobutanoate meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C12H11FO4 |
| Molecular Weight | 238.21 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 sealed and dry, 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; Hygroscopic; reseal immediately after opening; 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.) | 1985 |
| Halogen Content | F-containing |
Related Methyl Standards
- 1-(3-Fluorobenzoyl)pyrrolidine-3-carboxylic acid (CAS 1406863-38-4)
- (S)-1-(4-Fluorobenzoyl)pyrrolidine-2-carboxylic acid (CAS 62522-93-4)
- 1-(4-Fluorobenzoyl)proline (CAS 2098813-19-3)
- 1-[(2-Fluorobenzoyl)oxy]pyrrolidine-2,5-dione (CAS 110920-18-8)
- (4-Fluorobenzoyl)-l-valine (CAS 124762-48-7)
- (3-Fluorobenzoyl)valine (CAS 1396967-51-3)
- 3-(4-Fluorobenzoyl)indole (CAS 152807-26-6)
- N-((4-fluorobenzoyl)oxy)pivalamide (CAS 400076-36-0)
Recommended Standards
- Ethyl 4-(4-fluorophenyl)-2,4-dioxobutanoate (CAS 31686-94-9)
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- Ethyl 4-(3-fluorophenyl)-2,4-dioxobutanoate (CAS 741286-49-7)
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- Methyl 3-[4-(ethoxycarbonyl)-3-fluorophenyl]-2-fluorobenzoate (CAS 1381944-56-4)
- 5-(Benzyloxy)-1-methyl-1H-benzo[d]imidazole-2-thiol (CAS 1935124-43-8)
- (E)-2-(2H-1,3-Benzodioxol-5-yl)-N-[(3-methoxyphenyl)methyl]ethene-1-sulfonamide (CAS 1164544-53-9)
- 5-(Trifluoromethoxy)-1h-indazole-3-carbaldehyde (CAS 1082040-40-1)
- N-(Cyanomethyl)-6-(trifluoromethyl)pyridine-3-carboxamide (CAS 1092346-02-5)
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- 7-Oxaspiro[3.5]Nonan-5-one (CAS 2306262-63-3)
- Rac1 Inhibitor F56, control peptide (CAS 1315378-77-8)
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