CAS 475994-58-2

Isoquinoline, 8-bromo-, 2-oxide

Description:

Isoquinoline, 8-bromo-, 2-oxide, identified by the CAS number 475994-58-2, is a heterocyclic organic compound that features a bicyclic structure composed of a benzene ring fused to a pyridine ring. This compound is characterized by the presence of a bromine atom at the 8-position of the isoquinoline framework and an oxide functional group at the 2-position. The presence of the bromine atom typically enhances the compound's reactivity, making it useful in various synthetic applications, including medicinal chemistry and material science. The oxide group may influence the compound's electronic properties and solubility. Isoquinoline derivatives are known for their biological activities, including potential pharmacological effects, which can be attributed to their structural features. The compound is likely to be a pale yellow to brown solid, with moderate solubility in organic solvents. As with many brominated compounds, it may exhibit specific environmental and health considerations, necessitating careful handling and disposal in accordance with safety regulations.

Formula: C₉H₆BrNO

InChI: InChI=1S/C9H6BrNO/c10-9-3-1-2-7-4-5-11(12)6-8(7)9/h1-6H

InChI key: InChIKey=GKHHEHRICGMJJN-UHFFFAOYSA-N

SMILES: BrC=1C2=C(C=CN(=O)=C2)C=CC1

Synonyms:

• 8-Bromoisoquinoline-2-oxide
• Isoquinoline, 8-bromo-, 2-oxide