4-Fluoroisoquinoline

Basic Information

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CAS Number

394-67-2

Molecular Formula

C9H6FN

Molecular Weight

147.15 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

Physical State

White to Yellow Liquid

Melting Point

32.0 to 36.0 deg-C

Boiling Point

236°C

Flash Point

99 ºC

Refractive Index

1.5914

SMILES

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C1=CC=C2C(=C1)C=NC=C2F

InChI

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

InChIKey

VFFQGPWQVYUFLV-UHFFFAOYSA-N

LogP

2.373900000000001

Topological Polar Surface Area

12.89 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

138

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

MFCD06656128
DS-10169
F1057
EN300-1707358
SY027896
InChI=1/C9H6FN/c10-9-6-11-5-7-3-1-2-4-8(7)9/h1-6
VFFQGPWQVYUFLV-UHFFFAOYSA-N
394-67-2
isoquinoline, 4-fluoro-
4-fluoranylisoquinoline
DTXSID80348836
CS-0044001
FT-0692483
A824559
4-Fluoro-isoquinoline
AKOS006294594
4-fluoroisoquinoline
SCHEMBL998807
4-Fluoroisoquinoline
4-fluoroisoquinoline sulfate
C9H6FN
Isoquinoline, 4-fluoro-
4-Fluor-isochinolin
4--fluoroisoquinoline
isoquinoline,4-fluoro
FCH852913
VQ10437
PC250003
BC227747
AK208822
AB0038066

MDL Number

MFCD06656128

Customs Code

2933499090

FAQ

What are the physical and chemical properties of 4-Fluoroisoquinoline (CAS: 394-67-2)?

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.

How is 4-Fluoroisoquinoline (CAS: 394-67-2) typically synthesized?

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.

What industries use 4-Fluoroisoquinoline (CAS: 394-67-2)?

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.

What precautions should be taken when handling 4-Fluoroisoquinoline (CAS: 394-67-2)?

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.