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CAS 78068-85-6

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3-Chloro-4-fluorobenzotrifluoride

Description:
3-Chloro-4-fluorobenzotrifluoride, with the CAS number 78068-85-6, is an aromatic compound characterized by the presence of a benzene ring substituted with three trifluoromethyl groups, a chlorine atom, and a fluorine atom. This compound is typically a colorless to pale yellow liquid at room temperature and exhibits a relatively high density compared to water. It is known for its stability and low volatility, making it useful in various industrial applications, particularly in the synthesis of pharmaceuticals and agrochemicals. The presence of multiple electronegative substituents contributes to its polar character, influencing its solubility in organic solvents. Additionally, 3-Chloro-4-fluorobenzotrifluoride may exhibit unique reactivity patterns due to the electron-withdrawing effects of the trifluoromethyl groups, which can enhance electrophilic aromatic substitution reactions. Safety data indicates that it should be handled with care, as it may pose health risks upon exposure. Overall, this compound is significant in organic synthesis and materials science due to its distinctive chemical properties.
Formula:C7H3ClF4
InChI:InChI=1S/C7H3ClF4/c8-5-3-4(7(10,11)12)1-2-6(5)9/h1-3H
InChI key:InChIKey=BKHVEYHSOXVAOP-UHFFFAOYSA-N
SMILES:C(F)(F)(F)C1=CC(Cl)=C(F)C=C1
Synonyms:
  • 1,3,3,4,4,5,5-Heptafluoro-2-(Trifluoromethyl)Cyclopentene
  • 1-Chloro-2-fluoro-5-(trifluoromethyl)benzene
  • 2-Chloro-1-Fluoro-4-(Trifluoromethyl)Benzene
  • Benzene, 2-chloro-1-fluoro-4-(trifluoromethyl)-
  • 3-Chloro-4-fluorobezo-trilfuoride
  • 3-Chloro-4-fluorobenzotrifluoride
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