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3-Cyano-4-fluorobenzoic acid(CAS: 171050-06-9)

3-Cyano-4-fluorobenzoic acid
CAS Number

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Basic Information

Molecular Formula
C8H4FNO2
Molecular Weight
165.12 g/mol

Physical Properties

Melting Point
180-182°C
Boiling Point
322.4℃ at 760 mmHg
Density
1.42
Flash Point
148.8°C

Chemical Identifiers

SMILES
C1=CC(=C(C=C1C(=O)O)C#N)F
InChIKey
JMHGATOBRPWPBZ-UHFFFAOYSA-N

Database References

MDL Number
MFCD03094339

FAQ

3-Cyano-4-fluorobenzoic acid is a crystalline compound with a molecular weight of 172.04 g/mol. It has a high solubility in polar solvents such as water and ethanol. The compound is moderately reactive towards nucleophiles and can undergo various synthetic transformations. It is slightly acidic and can form salts with bases.
3-Cyano-4-fluorobenzoic acid can be synthesized through the reaction of 4-fluorobenzoic acid and acyl cyanide. The reaction is typically carried out in a suitable solvent, with the use of a catalyst to enhance the reaction rate. The product is isolated by recrystallization and can be obtained with a yield of around 75-80%.
3-Cyano-4-fluorobenzoic acid is used in the pharmaceutical industry for intermediate synthesis, in the production of dyes and pigments, and in the chemical industry for the manufacture of various organic compounds. It is also used in the development of sensors and as a building block in the synthesis of other functional materials.
When handling 3-Cyano-4-fluorobenzoic acid, it is important to wear appropriate personal protective equipment (PPE), including gloves, safety glasses, and a lab coat. The compound should be stored in a cool, dry place, away from direct sunlight and heat sources. In case of spills, they should be cleaned up immediately using appropriate methods and materials. Always consult the Safety Data Sheet (SDS) for detailed handling and safety information.

Safety Notice

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

Always follow proper handling procedures

Contact Information

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Ludu

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