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CAS 116965-16-3

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3-Nitro-4-(trifluoromethyl)benzoic acid

Description:
3-Nitro-4-(trifluoromethyl)benzoic acid is an aromatic compound characterized by the presence of a nitro group and a trifluoromethyl group attached to a benzoic acid structure. The nitro group (-NO2) is a strong electron-withdrawing group, which influences the compound's reactivity and acidity. The trifluoromethyl group (-CF3) is also electron-withdrawing and significantly affects the compound's physical and chemical properties, such as solubility and lipophilicity. This compound typically exhibits high thermal stability and may be used in various applications, including pharmaceuticals, agrochemicals, and materials science. Its acidity is attributed to the carboxylic acid functional group (-COOH), which can donate a proton in solution. The presence of both electron-withdrawing groups can enhance the acidity compared to benzoic acid itself. Additionally, 3-Nitro-4-(trifluoromethyl)benzoic acid may participate in electrophilic aromatic substitution reactions, making it a valuable intermediate in organic synthesis. Safety and handling precautions should be observed due to its potential toxicity and environmental impact.
Formula:C2HBr2F3
InChI:InChI=1/C2HBr2F3/c3-1(5)2(4,6)7/h1H/t1-/m0/s1
SMILES:[C@H](C(Br)(F)F)(Br)F
Synonyms:
  • Methyl 2-Hydroxy-2-(Trifluoromethyl)Pent-4-Enoate
  • 1,2-Dibromo-1,1,2-Trifluoro-Ethane
  • 3-Nitro-4-trifluoromethylbenzoic Acid
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