Description

4′-Chloro-2′,5′-difluoroacetophenone (CAS No. 655-12-9) is a high-purity fluorinated aromatic ketone with the molecular formula C₈H₅ClF₂O. This compound, also known by its IUPAC name 1-(4-chloro-2,5-difluorophenyl)ethanone, is a versatile building block in organic synthesis and pharmaceutical research. Its unique structure, featuring both chloro and fluoro substituents on the aromatic ring, makes it an excellent intermediate for the development of advanced materials, agrochemicals, and bioactive molecules. 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 sensitive applications in medicinal chemistry and material science.

Properties

• CAS Number: 655-12-9
• Complexity: 186
• IUPAC Name: 1-(4-chloro-2,5-difluoro-phenyl)ethanone
• InChI: InChI=1S/C8H5ClF2O/c1-4(12)5-2-8(11)6(9)3-7(5)10/h2-3H,1H3
• InChI Key: XLBICEUZJHYFQG-UHFFFAOYSA-N
• Exact Mass: 189.9996988
• Molecular Formula: C8H5ClF2O
• Molecular Weight: 190.57
• SMILES: CC(=O)C1=CC(=C(C=C1F)Cl)F
• Topological: 17.1
• Monoisotopic Mass: 189.9996988
• Synonyms: 655-12-9, 4′-Chloro-2′,5′-difluoroacetophenone, DTXSID90344884, DTXCID00295959, 670-554-1, 1-(4-chloro-2,5-difluorophenyl)ethanone, 4-chloro-2,5-difluoroacetophenone, 1-(4-chloro-2,5-difluorophenyl)ethan-1-one, 1-(4-Chloro-2,5-difluoro-phenyl)ethanone, 1-acetyl-4-chloro-2,5-difluorobenzene, MFCD00068247, SCHEMBL690412, BBL103114, SBB091186, STL556924, AKOS006230384, FS-4320, DB-054820, 1-(4-Chloro-2,5-difluoro-phenyl)-ethanone, CS-0317412, ST51041397

Application

4′-Chloro-2′,5′-difluoroacetophenone serves as a key intermediate in the synthesis of fluorinated pharmaceuticals, particularly in the development of kinase inhibitors and antimicrobial agents. Its electron-withdrawing substituents make it valuable for Suzuki-Miyaura cross-coupling reactions in material science. Researchers also utilize this compound as a precursor for liquid crystal materials and specialty polymers requiring halogenated aromatic components.

Safety and Hazards

GHS Hazard Statements

• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]

Precautionary Statements

• P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501

Hazard Classes and Categories

• Acute Tox. 4 (100%)
• Acute Tox. 4 (100%)
• Acute Tox. 4 (100%)

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