Description

1-(4-(Trifluoromethyl)phenyl)butane-1,3-dione (CAS No. 258346-69-9) is a high-purity organic compound with the molecular formula C₁₁H₉F₃O₂. This β-diketone derivative features a trifluoromethylphenyl group, making it a valuable intermediate in synthetic chemistry and material science applications. Its precise structure, 1-[4-(trifluoromethyl)phenyl]butane-1,3-dione, ensures excellent reactivity in coordination chemistry and ligand synthesis. Ideal for researchers, this compound is rigorously tested for purity and stability, supplied in sealed packaging to prevent degradation. Suitable for use in pharmaceuticals, agrochemicals, and advanced material development.

Properties

• CAS Number: 258346-69-9
• Complexity: 275
• IUPAC Name: 1-[4-(trifluoromethyl)phenyl]butane-1,3-dione
• InChI: InChI=1S/C11H9F3O2/c1-7(15)6-10(16)8-2-4-9(5-3-8)11(12,13)14/h2-5H,6H2,1H3
• InChI Key: DLIOGFQTFUVFFB-UHFFFAOYSA-N
• Exact Mass: 230.05546401
• Molecular Formula: C11H9F3O2
• Molecular Weight: 230.18
• SMILES: CC(=O)CC(=O)C1=CC=C(C=C1)C(F)(F)F
• Topological: 34.1
• Monoisotopic Mass: 230.05546401
• Synonyms: 258346-69-9, 1-(4-(trifluoromethyl)phenyl)butane-1,3-dione, 1-(4-Trifluoromethylphenyl)butane-1,3-dione, 1-[4-(trifluoromethyl)phenyl]butane-1,3-dione, 1-[4-(Trifluoromethyl)phenyl]-1,3-butanedione, 1,3-Butanedione,1-[4-(trifluoromethyl)phenyl]-, MFCD07772941, 1,3-Butanedione, 1-[4-(trifluoromethyl)phenyl]-, SCHEMBL3569892, DTXSID50586349, AKOS005064551, AB92075, BS-16326, CS-0161926, 1-(4-trifluoromethylphenyl)-1,3-butanedione, D83351, EN300-177629, T60003, 1-(4-trifluoromethyl-phenyl)-butane-1,3-dione, Z359504756

Application

This compound serves as a versatile building block in organic synthesis, particularly for the preparation of fluorinated heterocycles and metal chelating ligands. Its trifluoromethyl group enhances lipophilicity, making it useful in pharmaceutical research for drug candidate optimization. Researchers also employ it in the development of advanced materials, such as OLEDs and liquid crystals, due to its electron-withdrawing properties.

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