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CAS 898769-13-6

:

1-(3-chloro-5-fluoro-phenyl)-3-(p-tolyl)propan-1-one

Description:
1-(3-Chloro-5-fluoro-phenyl)-3-(p-tolyl)propan-1-one, identified by its CAS number 898769-13-6, is an organic compound characterized by its ketone functional group. This substance features a propanone backbone with a phenyl ring substituted at the 3-position with a chloro and fluoro group, and a p-tolyl group at the 3-position of the propanone. The presence of halogen substituents, specifically chlorine and fluorine, often enhances the compound's reactivity and lipophilicity, making it of interest in various chemical applications, including pharmaceuticals and agrochemicals. The molecular structure suggests potential for interactions such as hydrogen bonding and π-π stacking due to the aromatic rings. Additionally, the compound's physical properties, such as solubility and boiling point, would be influenced by the substituents and overall molecular weight. As with many organic compounds, safety and handling precautions are essential, particularly due to the presence of halogens, which can pose health risks.
Formula:C16H14ClFO
InChI:InChI=1/C16H14ClFO/c1-11-2-4-12(5-3-11)6-7-16(19)13-8-14(17)10-15(18)9-13/h2-5,8-10H,6-7H2,1H3
SMILES:Cc1ccc(cc1)CCC(=O)c1cc(cc(c1)F)Cl
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