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CS-W001157 4
Total: USD 88.00

4-Fluorophenylacetonitrile

  • CAS No. 459-22-3

  • Cat. No. CS-W020067
  • Purity≥96%
  • MDL No.MFCD00001917

*For research and further manufacturing use only, not for direct human use.

4-Fluorophenylacetonitrile|CS-W020067

Structure of 459-22-3

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General Information

  • CAS No. 459-22-3
  • Cat. No. CS-W020067
  • Purity ≥96%
  • MDL No. MFCD00001917
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆FN
  • Molecular Weight 135.14
  • Synonym(s) 4-Fluorobenzyl cyanide; 4-Fluorophenylacetic acid nitrile
  • SMILES N#CCC1=CC=C(F)C=C1

Description

4-Fluorophenylacetonitrile is starting reagent in the synthesis of 1-Alkyl-N-[2-ethyl-2-(4-fluorophenyl)butyl]piperidine-4-carboxamide derivatives.

Synthesis

  • Route1
    • In-stock
      2-(Trimethylsilyl)acetonitrile|CS-0120673
      18293-53-3
    • null|null
      460-00-4
    • ~80%
    • In-stock
      4-Fluorophenylacetonitrile|CS-W020067
      459-22-3

    References

    • Wu, Lingyun; Hartwig, John F. Journal of the American Chemical Society, 2005 , vol. 127, # 45 p. 15824 - 15832
  • Route2
    • null|null
      151-50-8
    • ~%
    • In-stock
      4-Fluorophenylacetonitrile|CS-W020067
      459-22-3

    References

    • JANSSEN PHARMACEUTICA NV Patent: WO2008/152081 A2, 2008 ; Location in patent: Page/Page column 12 ;
  • Route3
    • In-stock
      4-Isoxazoleboronic acid pinacol ester|CS-W001065
      928664-98-6
    • null|null
      460-00-4
    • ~83%
    • In-stock
      4-Fluorophenylacetonitrile|CS-W020067
      459-22-3

    References

    • Velcicky, Juraj; Soicke, Arne; Steiner, Roland; Schmalz, Hans-Guenther Journal of the American Chemical Society, 2011 , vol. 133, # 18 p. 6948 - 6951

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 3276
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H302+H312+H332-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   23.79
  • LogP   1.89178
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   1

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