CAS 120277-71-6

4-(Chloromethyl)isoquinoline

Description:

4-(Chloromethyl)isoquinoline is an organic compound characterized by its isoquinoline structure, which consists of a fused benzene and pyridine ring. The presence of a chloromethyl group at the 4-position of the isoquinoline ring introduces both reactivity and potential for further chemical modifications. This compound typically appears as a pale yellow to light brown solid and is soluble in organic solvents such as dichloromethane and ethanol, but has limited solubility in water. It is often used as an intermediate in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals. The chloromethyl group can participate in nucleophilic substitution reactions, making it a valuable building block for creating more complex molecular architectures. Additionally, compounds containing isoquinoline derivatives are of interest due to their biological activities, including potential antitumor and antimicrobial properties. As with many chlorinated compounds, appropriate safety measures should be taken when handling 4-(Chloromethyl)isoquinoline, as it may pose health risks and environmental concerns.

Formula: C₁₀H₈ClN

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

InChI key: InChIKey=AJFBPEBJMMVXLM-UHFFFAOYSA-N

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

Synonyms:

• Isoquinoline, 4-(chloromethyl)-
• 4-(Chloromethyl)isoquinoline