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CAS 320-38-7

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4-nitro-3-(trifluoromethyl)benzoic acid

Description:
4-Nitro-3-(trifluoromethyl)benzoic acid is an aromatic carboxylic acid characterized by the presence of a nitro group and a trifluoromethyl group on the benzene ring. The molecular structure features a carboxylic acid functional group (-COOH) attached to a benzene ring that is further substituted at the 4-position with a nitro group (-NO2) and at the 3-position with a trifluoromethyl group (-CF3). This compound is typically a solid at room temperature and is known for its relatively high melting point. It is soluble in organic solvents but has limited solubility in water due to the hydrophobic nature of the trifluoromethyl group. The presence of both electron-withdrawing groups (the nitro and trifluoromethyl groups) influences its acidity, making it a stronger acid compared to benzoic acid. This compound is often used in organic synthesis and as an intermediate in the production of various pharmaceuticals and agrochemicals. Safety precautions should be taken when handling it, as it may pose health risks.
Formula:C8H4F3NO4
InChI:InChI=1/C8H4F3NO4/c9-8(10,11)5-3-4(7(13)14)1-2-6(5)12(15)16/h1-3H,(H,13,14)
SMILES:c1cc(c(cc1C(=O)O)C(F)(F)F)N(=O)=O
Synonyms:
  • Benzoic Acid, 4-Nitro-3-(Trifluoromethyl)-
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