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CAS 98475-07-1

:

Benzoic acid, 2-(bromomethyl)-3-nitro-, methyl ester

Description:
Benzoic acid, 2-(bromomethyl)-3-nitro-, methyl ester, with the CAS number 98475-07-1, is an organic compound characterized by its functional groups and structural features. It contains a benzoic acid moiety, which is a carboxylic acid derivative, and is further modified by the presence of a bromomethyl group and a nitro group at specific positions on the aromatic ring. The methyl ester functional group indicates that the carboxylic acid has been esterified with methanol, enhancing its solubility in organic solvents. This compound typically exhibits moderate polarity due to the presence of both polar (nitro and carboxylate) and nonpolar (aromatic) components. It may participate in various chemical reactions, including nucleophilic substitutions and electrophilic aromatic substitutions, owing to the reactive bromomethyl and nitro groups. Additionally, the compound's properties, such as melting point, boiling point, and solubility, can be influenced by the presence of these substituents, making it of interest in synthetic organic chemistry and potential applications in pharmaceuticals or agrochemicals.
Formula:C9H8BrNO4
InChI:InChI=1S/C9H8BrNO4/c1-15-9(12)6-3-2-4-8(11(13)14)7(6)5-10/h2-4H,5H2,1H3
InChI key:InChIKey=FCGIVHSBEKGQMZ-UHFFFAOYSA-N
SMILES:C(Br)C1=C(C(OC)=O)C=CC=C1N(=O)=O
Synonyms:
  • 2-Bromomethyl-3-Nitrobenzoic Acid Methyl Ester
  • 2-Bromomethyl-3-NitrobenzoicAcidMethylEster
  • Benzoic acid, 2-(bromomethyl)-3-nitro-, methyl ester
  • Methyl 2-bromomethyl-3-nitrobezoate
  • methyl 2-(bromomethyl)-3-nitrobenzoate
  • Methyl 2-(bromomethyl)-3-nitrobenzoate
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