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CAS 22227-59-4

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2-Chloro-3-nitro-5-(trifluoromethyl)benzoic acid

Description:
2-Chloro-3-nitro-5-(trifluoromethyl)benzoic acid is an aromatic carboxylic acid characterized by the presence of a benzoic acid core substituted with a chlorine atom, a nitro group, and a trifluoromethyl group. The chlorine atom is located at the 2-position, the nitro group at the 3-position, and the trifluoromethyl group at the 5-position of the benzene ring. This compound is typically a solid at room temperature and is known for its potential applications in pharmaceuticals and agrochemicals due to its unique electronic and steric properties. The trifluoromethyl group enhances lipophilicity and metabolic stability, while the nitro group can serve as a functional handle for further chemical modifications. The presence of these substituents can also influence the compound's reactivity, solubility, and overall chemical behavior. As with many halogenated and nitro-substituted compounds, it is essential to handle this substance with care due to potential toxicity and environmental concerns.
Formula:C8H3ClF3NO4
InChI:InChI=1S/C8H3ClF3NO4/c9-6-4(7(14)15)1-3(8(10,11)12)2-5(6)13(16)17/h1-2H,(H,14,15)
SMILES:c1c(cc(c(c1C(=O)O)Cl)N(=O)=O)C(F)(F)F
Synonyms:
  • Benzoic acid, 2-chloro-3-nitro-5-(trifluoromethyl)-
  • 2-Chloro-3-nitro-5-(trifluoromethyl)benzoic acid 97%
  • 2-Chloro-3-nitro-5-(trifluoromethyl)
  • 2-chloro-3-nitro-5-(trifluoromethyl)benzoic acid
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