Description

1-(3-Fluoro-4-methoxyphenyl)ethan-1-one (CAS No. 455-91-4) is a high-purity fluorinated aromatic ketone with the molecular formula C₉H₉FO₂. This compound, also known as 1-(3-fluoro-4-methoxyphenyl)ethanone, is a versatile intermediate in organic synthesis and pharmaceutical research. Its unique structure, featuring a fluorine substituent and methoxy group on the phenyl ring, makes it valuable for designing bioactive molecules and advanced materials. Our product is rigorously tested to ensure ≥98% purity (GC), with detailed analytical data (NMR, MS) available upon request. Supplied in amber glass vials under inert atmosphere to ensure stability, it is ideal for researchers requiring precise fluorinated building blocks.

Properties

• CAS Number: 455-91-4
• Complexity: 170
• IUPAC Name: 1-(3-fluoro-4-methoxy-phenyl)ethanone
• InChI: InChI=1S/C9H9FO2/c1-6(11)7-3-4-9(12-2)8(10)5-7/h3-5H,1-2H3
• InChI Key: LQASUDVYVOFKNK-UHFFFAOYSA-N
• Exact Mass: 168.05865769
• Molecular Formula: C9H9FO2
• Molecular Weight: 168.16
• SMILES: CC(=O)C1=CC(=C(C=C1)OC)F
• Topological: 26.3
• Monoisotopic Mass: 168.05865769
• Synonyms: 455-91-4, 1-(3-Fluoro-4-methoxyphenyl)ethanone, 1-(3-Fluoro-4-methoxyphenyl)ethan-1-one, EINECS 207-253-8, DTXSID30196541, NSC 89731, DTXCID70119032, 207-253-8, 3′-Fluoro-4′-methoxyacetophenone, 3-Fluoro-4-methoxyacetophenone, Ethanone, 1-(3-fluoro-4-methoxyphenyl)-, MFCD00026219, Acetophenone, 3′-fluoro-4′-methoxy-, 3′-Fluoro-4’methoxyacetophenone, 1-acetyl-3-fluoro-4-methoxybenzene, NSC89731, 1-(3-Fluoro-4-methoxyphenyl)-Ethanone, 1-(3-fluoro-4-methoxy-phenyl)-ethanone, 1-(3-fluoro-4-methoxyphenyl)-1-ethanone, Cambridge id 5510406, SCHEMBL313217, SCHEMBL5426648, 4′-methoxy-3′-fluoroacetophenone, 3′-fluoro-4′-methoxy-acetophenone, CL8657, NSC-89731, SBB064189, STK036599, AKOS000121316, AC-3619, CS-W017811, FF64530, 3′-Fluoro-4′-methoxyacetophenone, 99%, 1-(3-Fluoro-4-methoxyphenyl)ethanone #, SY007295, F0366, NS00044066, ST50407054, EN300-18589, 7Y-0947, Z85921976, 3 inverted exclamation mark -Fluoro-4 inverted exclamation mark -methoxyacetophenone

Application

1-(3-Fluoro-4-methoxyphenyl)ethan-1-one serves as a key intermediate in the synthesis of pharmaceutical compounds, particularly those targeting CNS disorders due to its fluorinated aromatic scaffold. It is utilized in Suzuki-Miyaura coupling reactions to create complex biaryl structures for drug discovery. The compound’s electron-withdrawing fluorine and electron-donating methoxy group also make it valuable in materials science for developing liquid crystals or OLED materials.

Safety and Hazards

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (98%): 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 (100%)
• Eye Irrit. 2 (100%)
• STOT SE 3 (98%)

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