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CAS 1099597-34-8

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1-Chloro-3-(3,3,3-trifluoropropyl)benzene

Description:
1-Chloro-3-(3,3,3-trifluoropropyl)benzene is an organic compound characterized by the presence of a chlorobenzene ring substituted with a trifluoropropyl group. The molecular structure features a benzene ring with a chlorine atom attached to the third carbon and a propyl chain that is fully substituted with three fluorine atoms at the terminal carbon. This compound is typically colorless to pale yellow and may exhibit a distinct odor. It is classified as a halogenated aromatic hydrocarbon, which can influence its chemical reactivity and physical properties, such as solubility and volatility. The trifluoropropyl group imparts unique characteristics, including increased lipophilicity and potential applications in various fields, including pharmaceuticals and materials science. Due to the presence of chlorine and fluorine, this compound may also exhibit environmental persistence and bioaccumulation potential, necessitating careful handling and assessment of its ecological impact. Safety data sheets should be consulted for specific handling and toxicity information.
Formula:C9H8ClF3
InChI:InChI=1S/C9H8ClF3/c10-8-3-1-2-7(6-8)4-5-9(11,12)13/h1-3,6H,4-5H2
InChI key:InChIKey=AFGFEFLFOJZWJE-UHFFFAOYSA-N
SMILES:C(CC(F)(F)F)C1=CC(Cl)=CC=C1
Synonyms:
  • Benzene, 1-chloro-3-(3,3,3-trifluoropropyl)-
  • 1-Chloro-3-(3,3,3-trifluoropropyl)benzene
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