CAS 111248-95-4

2,1-Benzisothiazole, 1,3-dihydro-7-nitro-, 2,2-dioxide

Description:

2,1-Benzisothiazole, 1,3-dihydro-7-nitro-, 2,2-dioxide, with CAS number 111248-95-4, is a heterocyclic compound characterized by its benzothiazole core structure, which incorporates both nitrogen and sulfur atoms in a fused ring system. This compound features a nitro group at the 7-position and a sulfone functional group, contributing to its chemical reactivity and potential applications. It is typically a crystalline solid and may exhibit moderate solubility in polar organic solvents. The presence of the nitro group suggests that it may participate in electrophilic aromatic substitution reactions, while the sulfone moiety can influence its polarity and reactivity. This compound is of interest in various fields, including medicinal chemistry and materials science, due to its potential biological activity and utility as a building block in organic synthesis. Safety data should be consulted for handling and storage, as compounds of this nature may pose health risks.

Formula: C₇H₆N₂O₄S

InChI: InChI=1S/C7H6N2O4S/c10-9(11)6-3-1-2-5-4-14(12,13)8-7(5)6/h1-3,8H,4H2

InChI key: InChIKey=IELJSUNBKXYYJX-UHFFFAOYSA-N

SMILES: N(=O)(=O)C1=C2C(CS(=O)(=O)N2)=CC=C1

Synonyms:

• 2,1-Benzisothiazole, 1,3-dihydro-7-nitro-, 2,2-dioxide
• 1,3-Dihydro-7-nitro-2,1-benzisothiazole 2,2-dioxide