Description

3′-Chloro-4′-fluoroacetophenone (CAS No. 2923-66-2) is a high-purity organic compound with the molecular formula C₈H₆ClFO. Also known as 1-(3-chloro-4-fluorophenyl)ethanone, this aromatic ketone features a chloro- and fluoro-substituted phenyl ring, making it a versatile intermediate in pharmaceutical and agrochemical synthesis. Its well-defined structure (molecular weight: 172.58 g/mol) ensures consistent reactivity, ideal for nucleophilic substitutions, condensations, and other fine chemical transformations. This product is rigorously tested for purity (typically ≥98% by GC or HPLC) and is supplied as a crystalline solid with excellent shelf stability under recommended storage conditions (2-8°C, inert atmosphere). Suitable for research, process development, and scale-up applications.

Properties

• CAS Number: 2923-66-2
• Complexity: 160
• IUPAC Name: 1-(3-chloro-4-fluoro-phenyl)ethanone
• InChI: InChI=1S/C8H6ClFO/c1-5(11)6-2-3-8(10)7(9)4-6/h2-4H,1H3
• InChI Key: PCJPESKRPOTNGU-UHFFFAOYSA-N
• Exact Mass: 172.0091207
• Molecular Formula: C8H6ClFO
• Molecular Weight: 172.58
• SMILES: CC(=O)C1=CC(=C(C=C1)F)Cl
• Topological: 17.1
• Monoisotopic Mass: 172.0091207
• Synonyms: 3′-Chloro-4′-fluoroacetophenone, 2923-66-2, 1-(3-Chloro-4-fluorophenyl)ethanone, DTXSID70334344, DTXCID80285434, 608-330-2, 3-Chloro-4-fluoroacetophenone, 1-(3-Chloro-4-fluorophenyl)ethan-1-one, Ethanone, 1-(3-chloro-4-fluorophenyl)-, MFCD00042203, 1-acetyl-3-chloro-4-fluorobenzene, 1-(3-Chloro-4-fluoro-phenyl)-ethanone, SCHEMBL75563, 4′-fluoro-3′-chloroacetophenone, CL8654, SBB063231, AKOS009158700, AC-3614, CS-W007765, PS-8654, 1-(3-Chloro-4-fluorophenyl)ethanone #, SY023313, DB-047552, C3346, NS00124293, ST50406960, EN300-31768, Z335437578, 1-(3-Chloro-4-fluorophenyl)ethan-1-one;4-Acetyl-2-chloro-1-fluorobenzene, 3 inverted exclamation mark -Chloro-4 inverted exclamation mark -fluoroacetophenone

Application

3′-Chloro-4′-fluoroacetophenone serves as a key building block in the synthesis of bioactive molecules, particularly in the development of pharmaceuticals targeting CNS disorders and antimicrobial agents. Its halogenated structure facilitates further functionalization via Suzuki couplings or nucleophilic aromatic substitutions. Researchers also utilize it in material science for designing liquid crystals and photoactive compounds. The compound’s reactivity is exploited in combinatorial chemistry for library generation.

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. 2 (100%)
• STOT SE 3 (88.9%)

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