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CAS 34545-20-5

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3-Bromo-4-methyl-5-nitrobenzoic acid

Description:
3-Bromo-4-methyl-5-nitrobenzoic acid is an aromatic carboxylic acid characterized by the presence of a bromine atom, a methyl group, and a nitro group on a benzoic acid framework. The molecular structure features a benzene ring substituted at the 3-position with a bromine atom, at the 4-position with a methyl group, and at the 5-position with a nitro group, contributing to its unique chemical properties. This compound is typically a solid at room temperature and is soluble in organic solvents, while its solubility in water may be limited due to the hydrophobic nature of the aromatic ring. The presence of the nitro group imparts significant electron-withdrawing characteristics, influencing the compound's reactivity and acidity. 3-Bromo-4-methyl-5-nitrobenzoic acid can be utilized in various chemical syntheses and research applications, particularly in the development of pharmaceuticals and agrochemicals. Its CAS number, 34545-20-5, is a unique identifier that facilitates its identification in chemical databases and regulatory frameworks.
Formula:C8H6BrNO4
InChI:InChI=1S/C8H6BrNO4/c1-4-6(9)2-5(8(11)12)3-7(4)10(13)14/h2-3H,1H3,(H,11,12)
InChI key:InChIKey=JEOLKHVBUQVYCK-UHFFFAOYSA-N
SMILES:N(=O)(=O)C1=CC(C(O)=O)=CC(Br)=C1C
Synonyms:
  • 3-Nitro-4-methyl-5-bromobenzoic acid
  • Benzoic Acid, 3-Bromo-4-Methyl-5-Nitro-
  • 3-Bromo-4-methyl-5-nitrobenzoic acid
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