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CAS 34408-25-8

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Benzoic acid, 2,5-dichloro-3-nitro-, methyl ester

Description:
Benzoic acid, 2,5-dichloro-3-nitro-, methyl ester, with the CAS number 34408-25-8, is an organic compound characterized by its ester functional group derived from benzoic acid. This compound features a benzene ring substituted with two chlorine atoms at the 2 and 5 positions, and a nitro group at the 3 position, contributing to its unique chemical properties. The presence of these substituents can influence the compound's reactivity, solubility, and potential biological activity. Typically, esters like this one are known for their pleasant aromas and are often used in flavoring and fragrance applications. Additionally, the chlorine and nitro groups may impart specific characteristics such as increased polarity and potential for electrophilic substitution reactions. This compound may also exhibit antimicrobial properties, making it of interest in various fields, including pharmaceuticals and agrochemicals. As with many chlorinated and nitro-substituted compounds, safety and environmental considerations are important, necessitating careful handling and assessment of its potential effects.
Formula:C8H5Cl2NO4
InChI:InChI=1S/C8H5Cl2NO4/c1-15-8(12)5-2-4(9)3-6(7(5)10)11(13)14/h2-3H,1H3
InChI key:InChIKey=BHIJMLGSGLWEIR-UHFFFAOYSA-N
SMILES:C(OC)(=O)C1=C(Cl)C(N(=O)=O)=CC(Cl)=C1
Synonyms:
  • Benzoic acid, 2,5-dichloro-3-nitro-, methyl ester
  • Hsdb 6164
  • Methyl 3-nitro-2,5-dichlorobenzoate
  • Methyl 2,5-dichloro-3-nitrobenzoate
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