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CAS 1187928-61-5

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Methyl 7-bromo-2-benzothiazolecarboxylate

Description:
Methyl 7-bromo-2-benzothiazolecarboxylate is an organic compound characterized by its unique structure, which includes a benzothiazole ring and a carboxylate ester functional group. The presence of the bromine atom at the 7-position of the benzothiazole ring contributes to its reactivity and potential applications in various chemical reactions, including nucleophilic substitutions and coupling reactions. This compound is typically a solid at room temperature and may exhibit moderate solubility in organic solvents such as ethanol and dichloromethane, while being less soluble in water due to its hydrophobic benzothiazole moiety. Methyl 7-bromo-2-benzothiazolecarboxylate may be utilized in the synthesis of pharmaceuticals, agrochemicals, and other fine chemicals, owing to its ability to serve as a building block in organic synthesis. Additionally, its bromine substituent can enhance biological activity, making it of interest in medicinal chemistry. Safety data should be consulted for handling and storage, as halogenated compounds can pose health and environmental risks.
Formula:C9H6BrNO2S
InChI:InChI=1S/C9H6BrNO2S/c1-13-9(12)8-11-6-4-2-3-5(10)7(6)14-8/h2-4H,1H3
InChI key:InChIKey=USBXZUVLEVRRPG-UHFFFAOYSA-N
SMILES:BrC1=C2C(N=C(C(OC)=O)S2)=CC=C1
Synonyms:
  • Methyl 7-bromo-2-benzothiazolecarboxylate
  • 2-Benzothiazolecarboxylic acid, 7-bromo-, methyl ester
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