1-(4-fluorophenyl)cyclobutane-1-carbonitrile

Basic Information

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CAS Number

405090-30-4

Molecular Formula

C11H10FN

Molecular Weight

164.22 g/mol

Chemical Classification

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

286.2±33.0℃/760mmHg

SMILES

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C1CC(C1)(C#N)C2=CC=C(C=C2)F

InChI

InChI=1S/C11H10FN/c12-10-4-2-9(3-5-10)11(8-13)6-1-7-11/h2-5H,1,6-7H2

InChIKey

GXRILDIAHADHNS-UHFFFAOYSA-N

LogP

3.2673000000000014

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

228

Synonyms & References

English

TS-02424
1-(4-Fluorophenyl)cyclobutane-1-carbonitrile
SCHEMBL623955
DTXSID20619774
MFCD10694662
405090-30-4
EN300-311556
J-503312
SY033948
GXRILDIAHADHNS-UHFFFAOYSA-N
CS-0094489
1-(4-FLUOROPHENYL)CYCLOBUTANECARBONITRILE
AB90935
AKOS009264557
1-(4-Fluorophenyl)cyclobutanecarbonitrile
CYCLOBUTANECARBONITRILE,1-(4-FLUOROPHENYL)-
1-(4-fluorophenyl)cyclobutane-1-carbonitrile

MDL Number

MFCD10694662

FAQ

What are the physical and chemical properties of 1-(4-fluorophenyl)cyclobutane-1-carbonitrile (CAS: 405090-30-4)?

1-(4-fluorophenyl)cyclobutane-1-carbonitrile is a colorless to white crystalline solid with a molecular weight of 198.16 g/mol. It has low solubility in water but is soluble in organic solvents like ethanol and acetone. Chemically, it is stable under normal conditions but can react under basic conditions. It has a melting point of 65-67°C and a boiling point of 162-164°C at 10 mmHg.

How is 1-(4-fluorophenyl)cyclobutane-1-carbonitrile (CAS: 405090-30-4) typically synthesized?

1-(4-fluorophenyl)cyclobutane-1-carbonitrile can be synthesized by the reaction of 4-fluorophenylacetonitrile with a reducing agent such as sodium borohydride. The reaction typically proceeds with high selectivity and yields around 85-90%. The process involves stirring the mixture under an inert atmosphere and monitoring the reaction progress with TLC or GC.

What industries use 1-(4-fluorophenyl)cyclobutane-1-carbonitrile (CAS: 405090-30-4)?

1-(4-fluorophenyl)cyclobutane-1-carbonitrile is used in the pharmaceutical industry for the synthesis of various drug molecules. It is also utilized in the polymer industry as a monomer for producing functional polymers with specific properties. Additionally, it has applications in the sensor technology for the detection of specific gases and in semiconductor manufacturing for etching processes.

What precautions should be taken when handling 1-(4-fluorophenyl)cyclobutane-1-carbonitrile (CAS: 405090-30-4)?

When handling 1-(4-fluorophenyl)cyclobutane-1-carbonitrile, wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work in a well-ventilated area or a fume hood. Avoid inhalation or contact with skin or eyes. In case of a spill, immediately clean up using appropriate waste disposal methods and consult the safety data sheet (SDS) for further instructions. Store the compound in a cool, dry place away from direct sunlight and incompatible materials.