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CAS 657-06-7

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2-Chloro-5-(trifluoromethyl)benzoic acid

Description:
2-Chloro-5-(trifluoromethyl)benzoic acid, with the CAS number 657-06-7, is an aromatic carboxylic acid characterized by the presence of a chloro group and a trifluoromethyl group on the benzene ring. This compound features a chlorine atom at the 2-position and a trifluoromethyl group at the 5-position of the benzoic acid structure, which significantly influences its chemical properties and reactivity. It is typically a solid at room temperature and is known for its relatively high melting point. The presence of the electronegative trifluoromethyl group enhances its acidity compared to benzoic acid, making it a stronger acid. This compound is often used in organic synthesis and as an intermediate in the production of pharmaceuticals and agrochemicals. Additionally, its unique substituents can impart specific biological activities, making it of interest in medicinal chemistry. Safety precautions should be observed when handling this substance, as it may pose health risks due to its reactive nature and potential environmental impact.
Formula:C8H4ClF3O2
InChI:InChI=1S/C8H4ClF3O2/c9-6-2-1-4(8(10,11)12)3-5(6)7(13)14/h1-3H,(H,13,14)
InChI key:InChIKey=WLXRKCGYQAKHSJ-UHFFFAOYSA-N
SMILES:C(O)(=O)C1=CC(C(F)(F)F)=CC=C1Cl
Synonyms:
  • 2-Chloro-5-trifluoromethylbenzoic acid
  • Benzoic acid, 2-chloro-5-(trifluoromethyl)-
  • m-Toluic acid, 6-chloro-α,α,α-trifluoro-
  • 2-Chloro-5-(trifluoromethyl)benzoic acid
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