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CAS 1190321-82-4

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7-Bromo-4-methyl-2(3H)-benzothiazolone

Description:
7-Bromo-4-methyl-2(3H)-benzothiazolone is a heterocyclic organic compound characterized by the presence of a benzothiazole ring, which consists of a fused benzene and thiazole structure. The compound features a bromine atom at the 7-position and a methyl group at the 4-position of the benzothiazole ring, contributing to its unique chemical properties. It is typically a solid at room temperature and may exhibit moderate solubility in organic solvents. The presence of the bromine atom can influence its reactivity, making it a potential candidate for various chemical reactions, including nucleophilic substitutions and coupling reactions. Additionally, the compound may possess biological activity, which can be explored for applications in pharmaceuticals or agrochemicals. Its specific characteristics, such as melting point, boiling point, and spectral data, would require empirical measurement or literature reference for precise values. As with many brominated compounds, it is essential to handle it with care due to potential toxicity and environmental concerns.
Formula:C8H6BrNOS
InChI:InChI=1S/C8H6BrNOS/c1-4-2-3-5(9)7-6(4)10-8(11)12-7/h2-3H,1H3,(H,10,11)
InChI key:InChIKey=LYMKOVLZUCMTAO-UHFFFAOYSA-N
SMILES:CC1=C2C(SC(=O)N2)=C(Br)C=C1
Synonyms:
  • 2(3H)-Benzothiazolone, 7-bromo-4-methyl-
  • 7-Bromo-4-methyl-2(3H)-benzothiazolone
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