Description

2′-Fluoro-4′-hydroxyacetophenone (CAS No. 98619-07-9) is a high-purity fluorinated aromatic ketone with the molecular formula C₈H₇FO₂ and IUPAC name 1-(2-fluoro-4-hydroxyphenyl)ethanone. This specialized organic compound features a reactive acetophenone core functionalized with a fluorine atom at the 2′ position and a hydroxyl group at the 4′ position, making it a valuable building block for pharmaceutical intermediates, agrochemical synthesis, and advanced material research. The compound is supplied as a crystalline solid with ≥95% purity (HPLC) and undergoes rigorous QC testing including ¹H/¹³C NMR and LC-MS characterization to ensure batch-to-batch consistency. Suitable for nucleophilic aromatic substitution reactions, cross-coupling reactions, and as a precursor for fluorinated heterocycles. Store under inert atmosphere at 2-8°C to maintain stability.

Properties

• CAS Number: 98619-07-9
• Complexity: 158
• IUPAC Name: 1-(2-fluoro-4-hydroxy-phenyl)ethanone
• InChI: InChI=1S/C8H7FO2/c1-5(10)7-3-2-6(11)4-8(7)9/h2-4,11H,1H3
• InChI Key: ZCZIRBNZMFUCOH-UHFFFAOYSA-N
• Exact Mass: 154.04300762
• Molecular Formula: C8H7FO2
• Molecular Weight: 154.14
• SMILES: CC(=O)C1=C(C=C(C=C1)O)F
• Topological: 37.3
• Monoisotopic Mass: 154.04300762
• Synonyms: 98619-07-9, 2′-Fluoro-4′-hydroxyacetophenone, DTXSID20369287, DTXCID70320323, 619-366-3, 1-(2-fluoro-4-hydroxyphenyl)ethanone, 2-fluoro-4-hydroxyacetophenone, 1-(2-fluoro-4-hydroxyphenyl)-1-ethanone, 1-(2-fluoro-4-hydroxyphenyl)ethan-1-one, 1-(2-fluoro-4-hydroxy-phenyl)ethanone, MFCD00142713, 4′-Hydroxy-2′-fluoroacetophenone, 1-acetyl-2-fluoro-4-hydroxybenzene, Ethanone, 1-(2-fluoro-4-hydroxyphenyl)-, SCHEMBL310878, CHEMBL4548054, 2-Fluoro-4-hydroxy acetophenone, (2-fluoro-4-hydroxyphenyl)ethanone, CS-M1008, CL8641, SBB071469, AKOS005175077, AC-8955, FF64528, FS-1201, 1-(2-fluoro-4-hydroxy-phenyl)-ethanone, 2′-FLUOR-4′-HYDROXYACETOPHENONE, ST094939, SY048930, DB-025311, F0418, NS00127143, EN300-70201, Z1123826135, 2 inverted exclamation mark -Fluoro-4 inverted exclamation mark -hydroxyacetophenone

Application

2′-Fluoro-4′-hydroxyacetophenone serves as a key synthon in the preparation of fluorinated drug candidates, particularly for kinase inhibitors and CNS-active compounds where the fluorine moiety enhances metabolic stability. The compound’s orthogonal functional groups enable efficient derivatization for combinatorial chemistry libraries in medicinal research. It’s also employed in material science for synthesizing fluorinated liquid crystals and as a photoactive component in advanced polymer systems.

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 (88.9%): 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. 2A (100%)
• STOT SE 3 (88.9%)

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