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CAS 1224465-03-5

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Methyl 2-bromo-7-benzothiazolecarboxylate

Description:
Methyl 2-bromo-7-benzothiazolecarboxylate is a chemical compound characterized by its unique structure, which includes a benzothiazole moiety and a bromine substituent. This compound typically exhibits properties associated with both the benzothiazole and carboxylate functional groups, such as moderate solubility in organic solvents and potential reactivity in nucleophilic substitution reactions due to the presence of the bromine atom. The benzothiazole ring contributes to its aromatic character, which can influence its electronic properties and stability. Additionally, the methyl ester group enhances its lipophilicity, making it more soluble in non-polar solvents. Methyl 2-bromo-7-benzothiazolecarboxylate may find applications in organic synthesis, particularly in the development of pharmaceuticals or agrochemicals, owing to its potential as an intermediate in various chemical reactions. Safety data and handling precautions should be observed, as with many halogenated compounds, due to potential toxicity and environmental concerns.
Formula:C9H6BrNO2S
InChI:InChI=1S/C9H6BrNO2S/c1-13-8(12)5-3-2-4-6-7(5)14-9(10)11-6/h2-4H,1H3
InChI key:InChIKey=YOUDZCBOWXHOQS-UHFFFAOYSA-N
SMILES:C(OC)(=O)C1=C2C(N=C(Br)S2)=CC=C1
Synonyms:
  • 7-Benzothiazolecarboxylic acid, 2-bromo-, methyl ester
  • Methyl 2-bromo-7-benzothiazolecarboxylate
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