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CAS 126623-65-2

:

4-Bromo-2-tert-butyl-1,1-dioxo-1,2-dihydroisothiazol-3-one

Description:
4-Bromo-2-tert-butyl-1,1-dioxo-1,2-dihydroisothiazol-3-one, with the CAS number 126623-65-2, is a chemical compound that belongs to the class of isothiazolones, which are known for their antimicrobial properties. This compound features a bromine atom and a tert-butyl group, contributing to its unique reactivity and solubility characteristics. The presence of the dioxo functional groups indicates that it may exhibit strong electrophilic behavior, making it useful in various applications, particularly in biocides and preservatives. Its structure suggests potential applications in the agricultural sector as a fungicide or in industrial formulations due to its ability to inhibit microbial growth. Additionally, the compound's stability and reactivity can be influenced by environmental factors such as pH and temperature. Safety data should be consulted for handling and exposure guidelines, as isothiazolones can be toxic to aquatic life and may cause skin or respiratory irritation in humans. Overall, this compound represents a significant interest in both research and industrial applications due to its biological activity.
Formula:C7H10BrNO3S
InChI:InChI=1/C7H10BrNO3S/c1-7(2,3)9-6(10)5(8)4-13(9,11)12/h4H,1-3H3
SMILES:CC(C)(C)N1C(=O)C(=CS1(=O)=O)Br
Synonyms:
  • 3(2H)-isothiazolone, 4-bromo-2-(1,1-dimethylethyl)-, 1,1-dioxide
  • 4-Bromo-2-tert-butyl-1,2-thiazol-3(2H)-one 1,1-dioxide
  • 4-bromo-2-tert-butylisothiazol-3(2H)-one 1,1-dioxide
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