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CAS 53985-49-2

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3-Chloro-5-(trifluoromethyl)benzoic acid

Description:
3-Chloro-5-(trifluoromethyl)benzoic acid is an aromatic carboxylic acid characterized by the presence of a chlorine atom and a trifluoromethyl group attached to a benzoic acid structure. The chlorine atom is located at the meta position relative to the carboxylic acid group, while the trifluoromethyl group is positioned at the para position. This compound is typically a white to off-white solid and is known for its relatively high stability due to the strength of the carbon-fluorine bonds in the trifluoromethyl group. It exhibits moderate solubility in organic solvents and limited solubility in water, which is common for many halogenated benzoic acids. The presence of both the chlorine and trifluoromethyl groups contributes to its unique chemical reactivity, making it useful in various chemical syntheses and applications, including agrochemicals and pharmaceuticals. Additionally, its molecular structure allows for potential interactions in biological systems, which may be of interest in medicinal chemistry. Safety precautions should be taken when handling this compound due to its potential toxicity and environmental impact.
Formula:C8H4ClF3O2
InChI:InChI=1/C8H4ClF3O2/c9-6-2-4(7(13)14)1-5(3-6)8(10,11)12/h1-3H,(H,13,14)
SMILES:c1c(cc(cc1C(F)(F)F)Cl)C(=O)O
Synonyms:
  • Benzoic acid, 3-chloro-5-(trifluoromethyl)-
  • Qvr Cg Exfff
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