1-(4-Methylphenyl)-4,4,4-trifluorobutane-1,3-dione

CAS: 720-94-5

Ref. 3D-FM53885

Product Information

• Name: 1-(4-Methylphenyl)-4,4,4-trifluorobutane-1,3-dione
• Synonyms: (4-Methylbenzoyl)trifluoroacetone, 1,1,1-Trifluoro-4-(4-methylphenyl)-2,4-butanedione, 1,3-Butanedione, 4,4,4-trifluoro-1-(4-methylphenyl)-, 1,3-Butanedione, 4,4,4-trifluoro-1-p-tolyl-, 1-(4-Methylphenyl)-4,4,4-Trifluoro-Butane-1,3-Dione, 4,4,4-Trifluoro-1-(4-Methylphenyl)butane-1,3-dione, 4,4,4-Trifluoro-1-(p-tolyl)butan-1,3-dione, 4,4,4-Trifluoro-1-(p-tolyl)butane-1,3-dione, 4,4,4-Trifluoro-1-[4-(methyl)phenyl]-butane-1,3-dione, 4-(4-Methylphenyl)-1,1,1-trifluorobutane-2,4-dione, 4-Methyl-1-(4,4,4-trifluoro-3-oxobutanoyl)benzene, l-(4-Methylphenyl)-4,4,4-trifluorobutane-1,3-dione

Description

1-(4-Methylphenyl)-4,4,4-trifluorobutane-1,3-dione is a coordination complex with the formula [Fe(CO)(μ-Cl)][PF]. It contains a planar tridentate CO ligand and two terminal CO ligands. The geometry of this complex is centrosymmetric with an approximate dihedral angle of 180°. The Fe atom has six equivalent coordination sites. Each terminal CO ligand has two orbital interactions with the Fe atom. The other two orbital interactions are between the CO and PF groups on the same side of the plane. This complex has strong magnetic properties due to its unpaired electron on fluorine atoms.

• Brand: Biosynth

Chemical properties

• Molecular weight: 230.18 g/mol
• Formula: C₁₁H₉F₃O₂
• Purity: Min. 95%
• InChI: InChI=1S/C11H9F3O2/c1-7-2-4-8(5-3-7)9(15)6-10(16)11(12,13)14/h2-5H,6H2,1H3
• InChI key: InChIKey=WRZMHTIRFOFFPY-UHFFFAOYSA-N
• SMILES: Cc1ccc(C(=O)CC(=O)C(F)(F)F)cc1