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CAS 112897-97-9

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trans-3,4-Difluorocinnamic acid

Description:
Trans-3,4-Difluorocinnamic acid is an organic compound characterized by its unique structure, which features a trans configuration of the double bond between the carbon atoms in the cinnamic acid backbone. This compound contains two fluorine atoms substituted at the 3 and 4 positions of the phenyl ring, which significantly influences its chemical properties and reactivity. It is typically a solid at room temperature and exhibits moderate solubility in organic solvents. The presence of fluorine atoms enhances its lipophilicity and can affect its biological activity, making it of interest in medicinal chemistry. Trans-3,4-Difluorocinnamic acid can participate in various chemical reactions, including esterification and electrophilic aromatic substitution, due to the reactivity of the carboxylic acid functional group and the electron-withdrawing nature of the fluorine substituents. Its potential applications may include use in pharmaceuticals, agrochemicals, and materials science, where its unique properties can be exploited for specific functions.
Formula:C9H5F2O2
InChI:InChI=1/C9H6F2O2/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5H,(H,12,13)/p-1/b4-2+
InChI key:HXBOHZQZTWAEHJ-DUXPYHPUSA-N
SMILES:C1=CC(=C(C=C1/C=C/C(=O)O)F)F
Synonyms:
  • Akos 92715
  • 3,4-Difluorocinnamic Acid
  • Timtec-Bb Sbb006677
  • Rarechem Bk Hw 0122
  • trans-3,4-Difluorocinnamicacid97%
  • (2E)-3-(3,4-difluorophenyl)prop-2-enoic acid
  • (2E)-3-(3,4-difluorophenyl)prop-2-enoate
  • (2E)-3-(3,4-difluorophenyl)acrylic acid
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