3-Bromoquinoline

CAS: 5332-24-1

Ref. 3D-FB15276

Product Information

• Name: 3-Bromoquinoline
• Synonyms: (1Z)-1-[(2-chloro-5-methylphenyl)imino]-1H-isoindol-3-amine, 3-Bromo-quinoline, Ai3-16560, Bromoquinoline, Nsc 3995, Quinolin-3-yl bromide, Quinoline, 3-bromo-
• CAS: 5332-24-1

Description

3-Bromoquinoline is a brominated quinoline derivative that can be synthesized by cross-coupling reactions. The compound's chemical structure is similar to the 3-azidoquinoline, which was studied in quantum theory and molecular modeling. The 3-bromoquinoline molecule has been shown to exist in two different coordination geometries: octahedral and trigonal bipyramidal. In the octahedral geometry, the 3-bromoquinoline molecule is bound to three bromine atoms and one nitrogen atom, with an intramolecular hydrogen bond between the nitrogen atom and the quinoline ring system. The trigonal bipyramidal geometry also features an intramolecular hydrogen bond between the nitrogen atom and quinoline ring system, as well as a halogen bonding interaction with one of the three bromine atoms.

• Brand: Biosynth

Chemical properties

• Molecular weight: 208.05 g/mol
• Formula: C₉H₆BrN
• Purity: Min. 95%
• Color/Form: Yellow Powder
• InChI: InChI=1S/C9H6BrN/c10-8-5-7-3-1-2-4-9(7)11-6-8/h1-6H
• InChI key: InChIKey=ZGIKWINFUGEQEO-UHFFFAOYSA-N
• SMILES: Brc1cnc2ccccc2c1