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CAS 88071-90-3

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Benzoic acid, 3-(bromomethyl)-4-nitro-, methyl ester

Description:
Benzoic acid, 3-(bromomethyl)-4-nitro-, methyl ester, with the CAS number 88071-90-3, 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 substituted with a bromomethyl group and a nitro group at specific positions on the aromatic ring. The presence of the methyl ester group indicates that the carboxylic acid has been esterified with methanol. This compound typically exhibits properties such as moderate solubility in organic solvents and limited solubility in water due to its hydrophobic aromatic structure. The bromomethyl and nitro substituents can influence its reactivity, making it a potential candidate for various chemical reactions, including nucleophilic substitutions and electrophilic aromatic substitutions. Additionally, the compound may exhibit biological activity, which can be of interest in pharmaceutical and agrochemical research. Safety and handling precautions should be observed due to the presence of the bromine and nitro groups, which can impart toxicity and environmental concerns.
Formula:C9H8BrNO4
InChI:InChI=1S/C9H8BrNO4/c1-15-9(12)6-2-3-8(11(13)14)7(4-6)5-10/h2-4H,5H2,1H3
InChI key:FMYMKUZFDVJUIQ-UHFFFAOYSA-N
SMILES:COC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])CBr
Synonyms:
  • methyl 3-bromomethyl-4-nitrobenzoate
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