3-(4-Fluorophenoxy)propanenitrile

Basic Information

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CAS Number

85169-02-4

Molecular Formula

C9H8FNO

Molecular Weight

165.16 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Nitriles

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

Boiling Point

274 °C

Density

1.165 g/mL at 25 °C

Refractive Index

n20/D 1.501(lit.)

SMILES

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C1=CC(=CC=C1OCCC#N)F

InChI

InChI=1S/C9H8FNO/c10-8-2-4-9(5-3-8)12-7-1-6-11/h2-5H,1,7H2

InChIKey

MSQBUHCLFYFIGC-UHFFFAOYSA-N

LogP

2.11818

Complexity

167

Synonyms & References

English

3-(4-fluorophenoxy)propanenitrile
3-(4-Fluorophenoxy)propiononitrile
Z54337110
AS-6418
3-(4-Fluorophenoxy)-propionitrile
EN300-66245
DTXSID60234329
MSQBUHCLFYFIGC-UHFFFAOYSA-N
3-(4-Fluorophenoxy)propionitrile, 97%
NS00063827
3-(4-FLUOROPHENOXY)PROPIONITRILE 97
3-(4-Fluoro-phenoxy)-propionitrile
85169-02-4
SCHEMBL9785630
CS-0257134
MFCD01569391
FT-0747476
3-(4-Fluorophenoxy)propionitrile
EINECS 285-945-9
beta-(p-fluorophenoxy)propionitrile
A863674
3-(4-fluoro-phenoxy)propionitrile
AKOS000186143
3-(4-Fluorophenoxy)propanenitrile
3-(4-fluorophenoxy)propionitrile 97

MDL Number

MFCD01569391

Customs Code

2926909090

FAQ

What are the physical and chemical properties of 3-(4-Fluorophenoxy)propanenitrile (CAS: 85169-02-4)?

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.

How is 3-(4-Fluorophenoxy)propanenitrile (CAS: 85169-02-4) typically synthesized?

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.

What industries use 3-(4-Fluorophenoxy)propanenitrile (CAS: 85169-02-4)?

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.

What precautions should be taken when handling 3-(4-Fluorophenoxy)propanenitrile (CAS: 85169-02-4)?

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.