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CAS 654-98-8

:

5-Chloro-2-(trifluoromethyl)benzoic acid

Description:
5-Chloro-2-(trifluoromethyl)benzoic acid, with the CAS number 654-98-8, is an aromatic carboxylic acid characterized by the presence of a chloro group and a trifluoromethyl group on a benzoic acid structure. This compound typically appears as a white to off-white solid and is known for its relatively high melting point. The presence of the trifluoromethyl group imparts unique electronic properties, enhancing its lipophilicity and potentially influencing its reactivity and solubility in organic solvents. It is often used in organic synthesis and as an intermediate in the production of pharmaceuticals and agrochemicals. The compound exhibits moderate toxicity and should be handled with care, following appropriate safety protocols. Its chemical structure allows for various substitution reactions, making it a valuable building block in synthetic chemistry. Additionally, it may exhibit specific biological activities, which can be of interest in medicinal chemistry research.
Formula:C8H4ClF3O2
InChI:InChI=1/C8H4ClF3O2/c9-4-1-2-6(8(10,11)12)5(3-4)7(13)14/h1-3H,(H,13,14)
InChI key:InChIKey=FWLFUSUVWNEKRN-UHFFFAOYSA-N
SMILES:C(O)(=O)C1=C(C(F)(F)F)C=CC(Cl)=C1
Synonyms:
  • 2-Trifluoromethyl-5-chlorobenzoic acid
  • 5-Chloro-2-trifluoromethylbenzoic acid
  • 5-Chloro-alpha,alpha,alpha-trifluoro-o-toluic acid
  • 654-98-8
  • Benzoic acid, 5-chloro-2-(trifluoromethyl)-
  • Qvr Cg Fxfff
  • o-Toluic acid, 5-chloro-α,α,α-trifluoro-
  • 5-Chloro-2-(trifluoromethyl)benzoic acid
  • Jrd-1033
  • 2-Carboxy-4-chlorobenzotrifluoride
  • 5-Chloro-2-(trifluoromethyl)benzoic acid ,98%
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