CAS 120568-08-3

4-(Trifluoromethyl)isoquinoline

Description:

4-(Trifluoromethyl)isoquinoline is a heterocyclic organic compound characterized by the presence of an isoquinoline structure, which consists of a fused benzene and pyridine ring. The trifluoromethyl group (-CF3) attached to the fourth position of the isoquinoline ring significantly influences its chemical properties, including its reactivity and lipophilicity. This compound is typically a pale yellow to light brown solid at room temperature and is known for its potential applications in medicinal chemistry and material science due to the electron-withdrawing nature of the trifluoromethyl group, which can enhance biological activity and alter electronic properties. Additionally, 4-(Trifluoromethyl)isoquinoline may exhibit interesting photophysical properties, making it a subject of interest in the development of fluorescent probes or dyes. Its synthesis often involves multi-step organic reactions, and it is important to handle this compound with care due to the potential hazards associated with fluorinated compounds.

Formula: C₁₀H₆F₃N

InChI: InChI=1S/C10H6F3N/c11-10(12,13)9-6-14-5-7-3-1-2-4-8(7)9/h1-6H

InChI key: InChIKey=QWQQKJDMJBMSFQ-UHFFFAOYSA-N

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

Synonyms:

• Isoquinoline, 4-(trifluoromethyl)-
• 4-Trifluoromethylisoquinoline
• 4-(Trifluoromethyl)isoquinoline

4-(Trifluoromethyl)isoquinoline

CAS: 120568-08-3

Versatile small molecule scaffold

Formula: C₁₀H₆F₃N

Purity: Min. 95%

Molecular weight: 197.16 g/mol

Ref: 3D-VEA56808