CAS 73048-61-0

Isoquinoline, 4-(chloromethyl)-, hydrochloride (1:1)

Description:

Isoquinoline, 4-(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 4-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. This compound may exhibit biological activity, potentially influencing its pharmacological properties. Its molecular structure contributes to its characteristics, such as melting point, solubility, and stability, which are essential for its handling and application in laboratory settings. Safety data should be consulted to understand its toxicity and handling precautions, as halogenated compounds can pose health risks. Overall, this compound serves as an important building block in the synthesis of more complex molecules in medicinal chemistry.

Formula: C₁₀H₈ClN·ClH

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

InChI key: InChIKey=VEWQBAQYVPCFRT-UHFFFAOYSA-N

SMILES: C(Cl)C=1C2=C(C=NC1)C=CC=C2.Cl

Synonyms:

• Isoquinoline, 4-(chloromethyl)-, hydrochloride (1:1)
• Isoquinoline, 4-(chloromethyl)-, hydrochloride