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CAS 850462-64-5

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5-Fluoro-2-methyl-3-nitrobenzoic acid

Description:
5-Fluoro-2-methyl-3-nitrobenzoic acid is an aromatic carboxylic acid characterized by the presence of a benzoic acid structure with three substituents: a fluorine atom at the 5-position, a methyl group at the 2-position, and a nitro group at the 3-position. This compound typically appears as a solid and is soluble in organic solvents, with limited solubility in water due to its hydrophobic aromatic ring. The presence of the nitro group contributes to its potential as a reactive intermediate in organic synthesis, while the fluorine atom can influence its electronic properties and biological activity. The compound may exhibit acidic behavior due to the carboxylic acid functional group, allowing it to participate in various chemical reactions, including esterification and nucleophilic substitution. Its unique structure makes it of interest in pharmaceutical research and the development of agrochemicals, where modifications to the aromatic system can lead to compounds with enhanced efficacy or selectivity. Safety data should be consulted for handling and usage, as with all chemical substances.
Formula:C8H6FNO4
InChI:InChI=1S/C8H6FNO4/c1-4-6(8(11)12)2-5(9)3-7(4)10(13)14/h2-3H,1H3,(H,11,12)
InChI key:InChIKey=CMZCBPLTJBYJHZ-UHFFFAOYSA-N
SMILES:C(O)(=O)C1=C(C)C(N(=O)=O)=CC(F)=C1
Synonyms:
  • Benzoic acid, 5-fluoro-2-methyl-3-nitro-
  • 5-Fluoro-2-Methyl-3-nitrobenzoic acid
  • 5-Fluoro-2-methyl-3-nitrobenzoic acid
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