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CAS 1301739-50-3

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4-Chloro-5-(trifluoromethyl)-1,2-benzenedicarboxylic acid

Description:
4-Chloro-5-(trifluoromethyl)-1,2-benzenedicarboxylic acid is an aromatic compound characterized by the presence of a chloro group and a trifluoromethyl group attached to a benzene ring that also contains two carboxylic acid functional groups. This compound is typically a solid at room temperature and exhibits properties common to carboxylic acids, such as acidity and the ability to form hydrogen bonds. The presence of the electronegative chlorine and trifluoromethyl groups significantly influences its chemical reactivity and polarity, making it a useful intermediate in organic synthesis and potentially in agrochemical applications. Its molecular structure suggests that it may participate in various chemical reactions, including nucleophilic substitutions and coupling reactions. Additionally, the trifluoromethyl group can enhance the lipophilicity of the compound, affecting its biological activity and solubility in organic solvents. Safety data should be consulted for handling, as halogenated compounds can pose environmental and health risks.
Formula:C9H4ClF3O4
InChI:InChI=1S/C9H4ClF3O4/c10-6-2-4(8(16)17)3(7(14)15)1-5(6)9(11,12)13/h1-2H,(H,14,15)(H,16,17)
InChI key:InChIKey=XHNKNDHFERQJGB-UHFFFAOYSA-N
SMILES:C(O)(=O)C1=C(C(O)=O)C=C(Cl)C(C(F)(F)F)=C1
Synonyms:
  • 1,2-Benzenedicarboxylic acid, 4-chloro-5-(trifluoromethyl)-
  • 4-Chloro-5-(trifluoromethyl)-1,2-benzenedicarboxylic acid
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