Description

3′,4′,5′-Trifluoropropiophenone (CAS No. 220227-74-7) is a high-purity fluorinated aromatic ketone with the molecular formula C₉H₇F₃O and IUPAC name 1-(3,4,5-trifluorophenyl)propan-1-one. This specialized organic compound features a propiophenone backbone substituted with three fluorine atoms at the 3, 4, and 5 positions of the phenyl ring, enhancing its electronic and steric properties for advanced synthetic applications. With a molecular weight of 188.15 g/mol, it is a valuable building block in pharmaceutical, agrochemical, and materials science research. Our product is rigorously tested to ensure ≥98% purity (GC) and is supplied in sealed, light-resistant packaging under inert conditions to guarantee stability. Ideal for nucleophilic substitutions, cross-coupling reactions, and as a precursor for fluorinated liquid crystals or bioactive molecules.

Properties

• CAS Number: 220227-74-7
• Complexity: 183
• IUPAC Name: 1-(3,4,5-trifluorophenyl)propan-1-one
• InChI: InChI=1S/C9H7F3O/c1-2-8(13)5-3-6(10)9(12)7(11)4-5/h3-4H,2H2,1H3
• InChI Key: VKEOHMCVBFCMSU-UHFFFAOYSA-N
• Exact Mass: 188.04489933
• Molecular Formula: C9H7F3O
• Molecular Weight: 188.15
• SMILES: CCC(=O)C1=CC(=C(C(=C1)F)F)F
• Topological: 17.1
• Monoisotopic Mass: 188.04489933
• Synonyms: 3′,4′,5′-Trifluoropropiophenone, 220227-74-7, 1-(3,4,5-trifluorophenyl)propan-1-one, 3,4,5-Trifluoropropiophenone, SCHEMBL3547368, DTXSID10380744, MFCD00083530, SBB090719, AKOS009159250, 3′,4′,5′-Trifluoropropiophenone, 97%, PS-10098, CS-0320671, N11973, 3 inverted exclamation marka,4 inverted exclamation marka,5 inverted exclamation marka-Trifluoropropiophenone

Application

3′,4′,5′-Trifluoropropiophenone serves as a key intermediate in the synthesis of fluorinated pharmaceuticals, particularly CNS-active compounds and kinase inhibitors. Its trifluorinated aromatic ring enhances metabolic stability in drug candidates, making it valuable for medicinal chemistry optimization. The compound is also utilized in materials science for developing fluorinated polymers with tailored optical or electronic properties. Researchers employ it in Pd-catalyzed cross-coupling reactions to create complex fluorinated architectures.

Safety and Hazards

GHS Hazard Statements

• H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
• H311 (100%): Toxic in contact with skin [Danger Acute toxicity, dermal]
• H331 (100%): Toxic if inhaled [Danger Acute toxicity, inhalation]

Precautionary Statements

• P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P321, P330, P361+P364, P403+P233, P405, and P501

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