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CAS 39053-47-9

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2,4-Dimethyl-3-nitrobenzoic acid

Description:
2,4-Dimethyl-3-nitrobenzoic acid is an aromatic carboxylic acid characterized by the presence of both methyl and nitro substituents on the benzene ring. Its molecular structure features a benzoic acid core with two methyl groups located at the 2 and 4 positions and a nitro group at the 3 position. This compound typically appears as a solid at room temperature and is known for its moderate solubility in organic solvents, while being less soluble in water due to the hydrophobic nature of the aromatic ring and the bulky methyl groups. The nitro group contributes to its reactivity, making it a potential candidate for various chemical reactions, including electrophilic substitution. Additionally, the presence of the carboxylic acid functional group imparts acidic properties, allowing it to participate in acid-base reactions. 2,4-Dimethyl-3-nitrobenzoic acid may be utilized in organic synthesis and as an intermediate in the production of dyes, pharmaceuticals, and agrochemicals. Safety precautions should be observed when handling this compound, as nitro compounds can be hazardous.
Formula:C9H9NO4
InChI:InChI=1S/C9H9NO4/c1-5-3-4-7(9(11)12)6(2)8(5)10(13)14/h3-4H,1-2H3,(H,11,12)
InChI key:InChIKey=KBUZCIJRGFXZMN-UHFFFAOYSA-N
SMILES:N(=O)(=O)C1=C(C)C(C(O)=O)=CC=C1C
Synonyms:
  • Benzoic acid, 2,4-dimethyl-3-nitro-
  • 2,4-Dimethyl-3-nitrobenzoic acid
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