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3-(4-Fluorophenoxy)propanenitrile(CAS: 85169-02-4)

3-(4-Fluorophenoxy)propanenitrile
CAS Number

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Basic Information

Molecular Formula
C9H8FNO
Molecular Weight
165.16 g/mol

Physical Properties

Boiling Point
274 °C(lit.)
Density
1.165 g/mL at 25 °C(lit.)

Chemical Identifiers

SMILES
C1=CC(=CC=C1OCCC#N)F
InChIKey
MSQBUHCLFYFIGC-UHFFFAOYSA-N

Database References

MDL Number
MFCD01569391

FAQ

3-(4-Fluorophenoxy)propanenitrile is a clear to slightly yellow liquid with a CAS number of 85169-02-4. Its molecular weight is approximately 187.14 g/mol. The compound is slightly soluble in water but highly soluble in organic solvents such as ethanol and acetone. It is relatively stable but can react with strong bases and reducing agents. It is non-toxic but can irritate the eyes and skin if exposed.
3-(4-Fluorophenoxy)propanenitrile is typically synthesized by the reaction of 4-fluorophenol with propionitrile in the presence of a base such as sodium hydride. The reaction is conducted in a solvent like dimethylformamide (DMF) under anhydrous conditions. The yield is around 90% and the method is known for its high selectivity and good reproducibility.
3-(4-Fluorophenoxy)propanenitrile is used in the pharmaceutical industry as an intermediate for the synthesis of drugs. It is also used in the polymer industry for the production of specialty polymers due to its chemical stability and reactivity. Additionally, it has applications in sensor technology and as a precursor for organic semiconductors.
When handling 3-(4-Fluorophenoxy)propanenitrile, appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat should be worn to prevent skin and eye exposure. The compound should be stored in a cool, dry place away from strong acids, bases, and reducing agents. Spills should be cleaned up using appropriate PPE, and the area should be well-ventilated. Safety data sheets (SDS) should be consulted for detailed handling instructions and emergency response 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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