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4-Fluoroisoquinoline(CAS: 394-67-2)

4-Fluoroisoquinoline
CAS Number

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Basic Information

Molecular Formula
C9H6FN
Molecular Weight
147.15 g/mol
Physical State
White to Yellow Liquid

Physical Properties

Melting Point
32.0 to 36.0 deg-C
Boiling Point
236°C(lit.)
Flash Point
99 ºC

Chemical Identifiers

SMILES
C1=CC=C2C(=C1)C=NC=C2F
InChIKey
VFFQGPWQVYUFLV-UHFFFAOYSA-N

Database References

MDL Number
MFCD06656128

FAQ

4-Fluoroisoquinoline is a crystalline solid with a molecular weight of approximately 160.05 g/mol. It is slightly soluble in water but more soluble in organic solvents like ethanol and acetone. The compound is moderately reactive, particularly towards nucleophilic substitution and electrophilic aromatic substitution reactions. It is commonly used in the synthesis of various pharmaceuticals and organic intermediates.
4-Fluoroisoquinoline is typically synthesized via the reaction of isoquinoline with hydrogen fluoride (HF) in an aprotic solvent like acetonitrile. This method provides good yields and selectivity. Another route involves the fluorination of isoquinoline derivatives using fluorine gas over a suitable catalyst. Both methods require careful control of reaction conditions to achieve optimal results.
4-Fluoroisoquinoline is used primarily in the pharmaceutical and chemical industries. It serves as a key intermediate in the synthesis of various bioactive compounds and drugs. Additionally, it has applications in the polymer industry for the production of specific polymer additives and in the semiconductor industry as a component in some chemical vapor deposition (CVD) processes.
Proper handling of 4-Fluoroisoquinoline requires the use of personal protective equipment (PPE) such as gloves, safety glasses, and a lab coat. It should be stored in a cool, dry place away from sources of heat and ignition. Handling should be conducted in a well-ventilated area or a fume hood. In case of spill, neutralize with a basic solution and dispose of according to local regulations. Always consult the Safety Data Sheet (SDS) for detailed handling and emergency procedures.

Safety Notice

Please verify product specifications and safety data before use. Contact the supplier for detailed safety information.

Always follow proper handling procedures

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