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CAS 898761-04-1

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4-Chloro-1-(4-fluoro-3-methylphenyl)-1-butanone

Description:
4-Chloro-1-(4-fluoro-3-methylphenyl)-1-butanone, identified by its CAS number 898761-04-1, is an organic compound characterized by its unique molecular structure, which includes a butanone backbone substituted with a chloro group and a fluoro-methylphenyl moiety. This compound typically exhibits a moderate polarity due to the presence of both halogen substituents and a carbonyl group, influencing its solubility in various organic solvents. The chloro and fluoro groups can impart specific reactivity and stability characteristics, making it of interest in synthetic organic chemistry and potentially in pharmaceutical applications. The presence of the methyl group on the phenyl ring can affect the compound's electronic properties and steric hindrance, which may influence its interactions in biological systems. As with many halogenated compounds, it is essential to consider environmental and safety aspects, including potential toxicity and persistence in the environment. Overall, 4-Chloro-1-(4-fluoro-3-methylphenyl)-1-butanone represents a complex structure with diverse potential applications in research and industry.
Formula:C11H12ClFO
InChI:InChI=1S/C11H12ClFO/c1-8-7-9(4-5-10(8)13)11(14)3-2-6-12/h4-5,7H,2-3,6H2,1H3
InChI key:InChIKey=PCTCPOPFECWKEI-UHFFFAOYSA-N
SMILES:C(CCCCl)(=O)C1=CC(C)=C(F)C=C1
Synonyms:
  • 1-Butanone, 4-chloro-1-(4-fluoro-3-methylphenyl)-
  • 4-Chloro-1-(4-fluoro-3-methylphenyl)-1-butanone
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