CAS 394-67-2

4-Fluoroisoquinoline

Description:

4-Fluoroisoquinoline is a heterocyclic organic compound characterized by a fused bicyclic structure that includes a benzene ring and a pyridine ring, with a fluorine atom substituted at the 4-position of the isoquinoline framework. Its molecular formula is C9H6FN, indicating the presence of nine carbon atoms, six hydrogen atoms, one fluorine atom, and one nitrogen atom. This compound typically appears as a colorless to pale yellow liquid or solid, depending on its purity and form. 4-Fluoroisoquinoline is known for its potential applications in medicinal chemistry, particularly in the development of pharmaceuticals, due to its ability to interact with biological targets. It exhibits moderate to low solubility in water but is more soluble in organic solvents. The presence of the fluorine atom can enhance the compound's lipophilicity and metabolic stability, making it a valuable scaffold in drug design. As with many heterocycles, it may also exhibit interesting electronic properties, which can be exploited in various chemical reactions and applications.

Formula: C₉H₆FN

InChI: InChI=1/C9H6FN/c10-9-6-11-5-7-3-1-2-4-8(7)9/h1-6H

SMILES: c1ccc2c(c1)cncc2F

Synonyms:

• Isoquinoline, 4-Fluoro-

4-Fluoroisoquinoline

CAS: 394-67-2

Formula: C₉H₆FN

Purity: 96%

Color and Shape: Liquid

Molecular weight: 147.1490

Ref: IN-DA003LFI

4-Fluoroisoquinoline

CAS: 394-67-2

Formula: C₉H₆FN

Purity: >98.0%(GC)

Color and Shape: White to Light yellow powder to lump

Molecular weight: 147.15

Ref: 3B-F1057

4-Fluoroisoquinoline

CAS: 394-67-2

4-Fluoroisoquinoline

Purity: 97%

Molecular weight: 147.15g/mol

Ref: 54-PC250003

4-Fluoroisoquinoline

CAS: 394-67-2

4-Fluoroisoquinoline is a synthetic compound that can be produced by the reduction of an acetonitrile-chlorinated isoquinoline compound. It is also possible to produce 4-fluoroisoquinoline by the reaction of chlorinating agents with an aldehyde, followed by the addition of phosphorus oxychloride and fluorine. The reductive sulfonation of 4-fluoroisoquinoline can be achieved by reacting it with sulfur trioxide, which is in turn generated from phosphorous oxychloride and sulfur dioxide. This process produces the desired product in good yields.

Formula: C₉H₆FN

Purity: Min. 95%

Color and Shape: Brown Powder

Molecular weight: 147.15 g/mol

Ref: 3D-FF66744

4-Fluoroisoquinoline

CAS: 394-67-2

Formula: C₉H₆FN

Purity: 96%

Color and Shape: Solid

Molecular weight: 147.152

Ref: 10-F303127