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3-CHLORO-2,4-DIFLUOROBENZONITRILE

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3-CHLORO-2,4-DIFLUOROBENZONITRILE Basic information

Product Name:
3-CHLORO-2,4-DIFLUOROBENZONITRILE
Synonyms:
  • 3-Chloro-2,4-difluorobenzonitrile
  • Benzonitrile, 3-chloro-2,4-difluoro-
CAS:
887267-38-1
MF:
C7H2ClF2N
MW:
173.55
Mol File:
887267-38-1.mol
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3-CHLORO-2,4-DIFLUOROBENZONITRILE Chemical Properties

Boiling point:
208.8±35.0 °C(Predicted)
Density 
1.43±0.1 g/cm3(Predicted)
storage temp. 
Sealed in dry,Room Temperature
Appearance
White to off-white Solid
CAS DataBase Reference
887267-38-1
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Safety Information

HS Code 
2926907090
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3-CHLORO-2,4-DIFLUOROBENZONITRILE Usage And Synthesis

Synthesis

2112-31-4

887267-38-1

Using the compound (CAS:2112-31-4) as starting material, 29.0 g of potassium fluoride (KF) was slowly added to the solution prepared in step (3) under continuous stirring conditions. Subsequently, the reaction mixture was heated to 140-160 °C and maintained at this temperature until the content of 2,3,4-trichlorobenzonitrile was reduced to less than 2% as detected by conventional analytical methods (Step 5). After completion of the reaction, the solvent N,N-dimethylformamide (DMF) was removed by rotary evaporator under reduced pressure to give a brownish-yellow granular solid. The solid was dissolved in 200 mL of toluene and purified by recrystallization. The solution was cooled to about 0 °C and allowed to stand overnight, after which the crystals were collected by filtration and dried to give 33.8 g of 3-chloro-2,4-difluorobenzonitrile. The product was a light yellow granular solid, analyzed by gas chromatography (GC) with a purity of 98.637% and a molar yield of 65.0%.

References

[1] Patent: CN106278860, 2017, A. Location in patent: Paragraph 0023; 0028; 0029

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