Description

2′-Chloro-5′-fluoroacetophenone (CAS No. 2965-16-4) is a high-purity fluorinated and chlorinated acetophenone derivative with the molecular formula C₈H₆ClFO. This aromatic ketone, also known by its IUPAC name 1-(2-chloro-5-fluorophenyl)ethanone, is a valuable building block in pharmaceutical and agrochemical synthesis. Its unique structure, featuring both chloro and fluoro substituents on the phenyl ring, makes it particularly useful for designing bioactive molecules with enhanced metabolic stability and lipophilicity.

Our product is synthesized under strict quality control and is available in >98% purity (GC), ensuring optimal performance in your applications. It is supplied as a crystalline solid with excellent shelf stability when stored at 2-8°C in a tightly sealed container. Researchers will appreciate its consistent quality, batch-to-batch reproducibility, and suitability for various organic transformations including nucleophilic substitutions, reductions, and coupling reactions.

Key identifiers: DTXSID30371412, DTXCID50322446

Properties

• CAS Number: 2965-16-4
• Complexity: 160
• IUPAC Name: 1-(2-chloro-5-fluoro-phenyl)ethanone
• InChI: InChI=1S/C8H6ClFO/c1-5(11)7-4-6(10)2-3-8(7)9/h2-4H,1H3
• InChI Key: KDBNPMAKHFSEBH-UHFFFAOYSA-N
• Exact Mass: 172.0091207
• Molecular Formula: C8H6ClFO
• Molecular Weight: 172.58
• SMILES: CC(=O)C1=C(C=CC(=C1)F)Cl
• Topological: 17.1
• Monoisotopic Mass: 172.0091207
• Synonyms: 2′-Chloro-5′-fluoroacetophenone, 2965-16-4, 1-(2-chloro-5-fluorophenyl)ethanone, DTXSID30371412, DTXCID50322446, 674-889-4, 2-Chloro-5-fluoroacetophenone, Ethanone, 1-(2-chloro-5-fluorophenyl)-, 1-(2-chloro-5-fluorophenyl)ethan-1-one, MFCD00042574, 2-chloro-5-fluoro acetophenone, 2′-Chloro-5′-fluoro acetophenone, 1-(2-chloro-5-fluoro-phenyl)ethanone, SCHEMBL5884181, 2-fluoroacetophenone, 1-acetyl-2-chloro-5-fluorobenzene, SBB088711, AKOS005063625, AC-2846, AC-3613, CS-W002212, PS-8656, SY003104, C3297, EN300-1981290, 2 inverted exclamation mark -Chloro-5 inverted exclamation mark -fluoroacetophenone

Application

2′-Chloro-5′-fluoroacetophenone serves as a versatile intermediate in medicinal chemistry, particularly in the development of fluorinated drug candidates where its structure can impart improved bioavailability. The compound finds use in synthesizing potential kinase inhibitors and CNS-active pharmaceuticals due to its ability to modulate electronic and steric properties. Its dual halogen substitution pattern makes it valuable for structure-activity relationship studies in agrochemical research.

Safety and Hazards

GHS Hazard Statements

• H314 (50%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
• H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

Precautionary Statements

• P260, P264, P264+P265, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P321, P332+P317, P337+P317, P362+P364, P363, P405, and P501

Hazard Classes and Categories

• Skin Corr. 1B (50%)
• Skin Irrit. 2 (50%)
• Eye Irrit. 2 (50%)

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