Description

Methyl 4-fluorobenzoylacetate (CAS: 63131-29-3) is a high-purity fluorinated organic compound with the molecular formula C₁₀H₉FO₃. This ester derivative of 4-fluorobenzoylacetic acid is widely used as a versatile intermediate in pharmaceutical synthesis, agrochemical production, and advanced material research. With a purity of ≥95%, this product is rigorously tested via GC, HPLC, and NMR to ensure consistency for demanding applications. It is supplied as a clear to pale yellow liquid with a characteristic ester odor, stored under inert conditions to maintain stability. Ideal for researchers and industrial chemists, Methyl 4-fluorobenzoylacetate is packaged in amber glass bottles or custom bulk containers with traceable lot documentation and MSDS compliance.

Properties

• CAS Number: 63131-29-3
• Complexity: 219
• IUPAC Name: methyl 3-(4-fluorophenyl)-3-oxo-propanoate
• InChI: InChI=1S/C10H9FO3/c1-14-10(13)6-9(12)7-2-4-8(11)5-3-7/h2-5H,6H2,1H3
• InChI Key: HGLVYXXPRSNKQN-UHFFFAOYSA-N
• Exact Mass: 196.05357231
• Molecular Formula: C10H9FO3
• Molecular Weight: 196.17
• SMILES: COC(=O)CC(=O)C1=CC=C(C=C1)F
• Topological: 43.4
• Monoisotopic Mass: 196.05357231
• Synonyms: Methyl 4-fluorobenzoylacetate, 63131-29-3, EINECS 263-889-6, DTXSID30212477, DTXCID30134968, 263-889-6, Methyl 3-(4-fluorophenyl)-3-oxopropanoate, Methyl p-fluorobenzoyl acetate, MFCD00000355, METHYL4-FLUOROBENZOYLACETATE, 4-Fluorobenzoylacetic Acid Methyl Ester, 3-(4-Fluoro-phenyl)-3-oxo-propionic acid methyl ester, Methyl 4-fluorobenzoylacetate, 95%, Methyl p-fluorobenzoylacetate, Methyl (4-fluorobenzoyl)acetate, methyl 4′-fluorobenzoylacetate, methyl-4-fluorobenzoylacetate, SCHEMBL452462, Methyl 4-fluoro benzoylacetate, 3-(4-Fluorophenyl)-3-oxopropionic Acid Methyl Ester, SCHEMBL3627447, Benzenepropanoic acid, 4-fluoro-.beta.-oxo-, methyl ester, ALBB-021814, AB7530, BBL104290, SBB065175, STL558544, AKOS005256967, AC-2690, CS-W015708, FM70121, RS-1029, SY002576, DB-334853, Methyl 3-(4-fluorophenyl)-3-oxopropionate, F0472, NS00035310, ST50406516, Methyl 3-(4-fluorophenyl)-3-oxopropanoate #, EN300-179841, Benzenepropanoic acid, 4-fluoro-beta-oxo-, methyl ester

Methyl 4-fluorobenzoylacetate serves as a key building block in the synthesis of fluorinated pharmaceuticals, particularly for β-keto ester transformations. It is employed in cross-coupling reactions to introduce fluorinated aromatic moieties into drug candidates. This compound also finds utility in the development of liquid crystal materials and specialty polymers requiring fluorine-enhanced properties. Its reactivity makes it valuable for constructing heterocyclic frameworks in medicinal chemistry programs.

Safety and Hazards

GHS Hazard Statements

• H315 (33.3%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (33.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (33.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Skin Irrit. 2 (33.3%)
• Eye Irrit. 2A (33.3%)
• STOT SE 3 (33.3%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.