CAS 80278-68-8

Isoquinoline, 5-(chloromethyl)-, hydrochloride (1:1)

Description:

Isoquinoline, 5-(chloromethyl)-, hydrochloride (1:1) is a chemical compound characterized by its isoquinoline backbone, which is a bicyclic structure containing a benzene ring fused to a pyridine ring. The presence of a chloromethyl group at the 5-position enhances its reactivity, making it a useful intermediate in organic synthesis. As a hydrochloride salt, it is typically more soluble in water compared to its free base form, which can facilitate its use in various applications, including pharmaceuticals and chemical research. The compound is known for its potential biological activities, which may include antimicrobial and anticancer properties, although specific biological effects can vary based on structural modifications and the presence of other functional groups. Safety data indicates that, like many chlorinated compounds, it should be handled with care due to potential toxicity and environmental concerns. Proper storage conditions and handling protocols are essential to ensure safety in laboratory settings.

Formula: C₁₀H₈ClN·ClH

InChI: InChI=1S/C10H8ClN.ClH/c11-6-8-2-1-3-9-7-12-5-4-10(8)9;/h1-5,7H,6H2;1H

InChI key: InChIKey=KBVRPRVLDOEOSG-UHFFFAOYSA-N

SMILES: C(Cl)C=1C2=C(C=CC1)C=NC=C2.Cl

Synonyms:

• Isoquinoline, 5-(chloromethyl)-, hydrochloride (1:1)
• Isoquinoline, 5-(chloromethyl)-, hydrochloride
• 5-(Chloromethyl)isoquinoline hydrochloride