Description

1-(2,5-Difluorophenyl)ethan-1-one (CAS No. 1979-36-8) is a high-purity fluorinated aromatic ketone with the molecular formula C₈H₆F₂O. This compound, also known by its IUPAC name 1-(2,5-difluorophenyl)ethanone, is a valuable building block in organic synthesis and pharmaceutical research. Its unique difluorophenyl moiety enhances reactivity and selectivity in cross-coupling reactions, making it ideal for drug discovery and material science applications. Available in >98% purity (GC), this crystalline solid is packaged under inert conditions to ensure stability. Suitable for use in Grignard reactions, nucleophilic additions, and as a precursor for heterocyclic compounds. Store in a cool, dry place away from light and moisture.

Properties

• CAS Number: 1979-36-8
• Complexity: 158
• IUPAC Name: 1-(2,5-difluorophenyl)ethanone
• InChI: InChI=1S/C8H6F2O/c1-5(11)7-4-6(9)2-3-8(7)10/h2-4H,1H3
• InChI Key: HLAFIZUVVWJAKL-UHFFFAOYSA-N
• Exact Mass: 156.03867113
• Molecular Formula: C8H6F2O
• Molecular Weight: 156.13
• SMILES: CC(=O)C1=C(C=CC(=C1)F)F
• Topological: 17.1
• Monoisotopic Mass: 156.03867113
• Synonyms: 1979-36-8, 1-(2,5-Difluorophenyl)ethanone, 1-(2,5-Difluorophenyl)ethan-1-one, EINECS 217-837-4, HLAFIZUVVWJAKL-UHFFFAOYSA-, DTXSID30173498, DTXCID3095989, 217-837-4, inchi=1/c8h6f2o/c1-5(11)7-4-6(9)2-3-8(7)10/h2-4h,1h3, 2′,5′-Difluoroacetophenone, 2,5-Difluoroacetophenone, Ethanone, 1-(2,5-difluorophenyl)-, MFCD00009898, 1-acetyl-2,5-difluorobenzene, 1-(2,5-Difluorophenyl)ethanone; 1-(2,5-Difluorophenyl)ethanone; 2,5-Difluorophenyl Methyl Ketone, 2,5-difluoro acetophenone, 2′,5′-difluoro acetophenone, SCHEMBL364307, 2′, 5′-difluoro acetophenone, SCHEMBL28172255, 2′,5′-Difluoroacetophenone, 98%, 1-(2,5-Difluorophenyl)ethanone #, SBB006573, AKOS000200928, AC-6262, CS-W010921, PS-8846, SY037528, DB-020068, D2607, NS00046121, ST50824559, EN300-11172, O10253, Z57046229, 2 inverted exclamation mark ,5 inverted exclamation mark -Difluoroacetophenone

Application

1-(2,5-Difluorophenyl)ethan-1-one is widely used as an intermediate in the synthesis of bioactive molecules, particularly in the development of fluorinated pharmaceuticals and agrochemicals. Its electron-withdrawing difluoro group facilitates regioselective functionalization in palladium-catalyzed reactions. Researchers employ this ketone in the construction of benzodiazepine analogs and other heterocycles with potential CNS activity. It also serves as a key substrate in studying fluorine effects on metabolic stability in drug candidates.

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 (97.9%): 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 (97.9%)

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