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CAS 952183-54-9

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

Description:
Benzoic acid, 3-(ethylamino)-4-nitro-, methyl ester, identified by the CAS number 952183-54-9, 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 an ethylamino group and a nitro group at specific positions on the aromatic ring. The methyl ester functionality indicates that the carboxylic acid has been esterified with methanol, enhancing its solubility in organic solvents. This compound is likely to exhibit properties typical of both esters and aromatic amines, including potential biological activity due to the presence of the nitro group, which can influence reactivity and interactions with biological systems. Its molecular structure suggests it may participate in various chemical reactions, such as nucleophilic substitutions or reductions, and it may also serve as an intermediate in the synthesis of more complex organic molecules. Safety and handling precautions should be observed, as compounds with nitro groups can be sensitive and potentially hazardous.
Formula:C10H12N2O4
InChI:InChI=1S/C10H12N2O4/c1-3-11-8-6-7(10(13)16-2)4-5-9(8)12(14)15/h4-6,11H,3H2,1-2H3
InChI key:InChIKey=MDUFKGRSLMVNCE-UHFFFAOYSA-N
SMILES:N(=O)(=O)C1=C(NCC)C=C(C(OC)=O)C=C1
Synonyms:
  • Methyl 3-(ethylamino)-4-nitrobenzoate
  • Benzoic acid, 3-(ethylamino)-4-nitro-, methyl ester
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