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CAS 748788-39-8

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Benzoic acid, 4-(acetylamino)-3-bromo-2-(2-bromoethoxy)-5-chloro-, methyl ester

Description:
Benzoic acid, 4-(acetylamino)-3-bromo-2-(2-bromoethoxy)-5-chloro-, methyl ester, identified by CAS number 748788-39-8, is a complex organic compound characterized by its functional groups and structural features. This substance contains a benzoic acid core, which is modified by the presence of an acetylamino group, multiple bromine atoms, and a chloro substituent, contributing to its reactivity and potential biological activity. The methyl ester functionality indicates that it can undergo hydrolysis to release benzoic acid and methanol. The presence of halogens (bromine and chlorine) suggests that this compound may exhibit unique properties, such as increased lipophilicity and potential antimicrobial activity. Its molecular structure implies that it may participate in various chemical reactions, including nucleophilic substitutions and acylation reactions. Due to its complex nature, this compound may be of interest in pharmaceutical research, particularly in the development of new therapeutic agents or as a synthetic intermediate in organic chemistry. Safety and handling precautions should be observed, as with all chemical substances, due to potential toxicity and environmental impact.
Formula:C12H12Br2ClNO4
InChI:InChI=1S/C12H12Br2ClNO4/c1-6(17)16-10-8(15)5-7(12(18)19-2)11(9(10)14)20-4-3-13/h5H,3-4H2,1-2H3,(H,16,17)
InChI key:InChIKey=DSGQFQSRBCHDNU-UHFFFAOYSA-N
SMILES:O(CCBr)C1=C(C(OC)=O)C=C(Cl)C(NC(C)=O)=C1Br
Synonyms:
  • Methyl 4-(acetylamino)-3-bromo-2-(2-bromoethoxy)-5-chlorobenzoate
  • Benzoic acid, 4-(acetylamino)-3-bromo-2-(2-bromoethoxy)-5-chloro-, methyl ester
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