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CS-W001157 4
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3-(2-Fluorophenyl)propanenitrile

  • CAS No. 877149-83-2

  • Cat. No. CS-0269580
  • Purity95+%
  • MDL No.None

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

3-(2-Fluorophenyl)propanenitrile|CS-0269580

Structure of 877149-83-2

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General Information

  • CAS No. 877149-83-2
  • Cat. No. CS-0269580
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈FN
  • Molecular Weight 149.16
  • Synonym(s) 2-fluoroBenzenepropanenitrile
  • SMILES C1=CC=C(C(=C1)CCC#N)F

Synthesis

  • Route1
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      877149-82-1
    • ~%
    • 3-(2-Fluorophenyl)propanenitrile|CS-0269580
      877149-83-2

    References

    • BAYER SCHERING PHARMA AKTIENGESELLSCHAFT; HUeBNER, Jan; WEGSCHEID-GERLACH, Christof; PANKNIN, Olaf; RING, Sven; BAeURLE, Stefan; HUWE, Christoph; NOWAK, Katrin; NUBBEMEYER, Reinhard; MUHN, Hans-Peter Patent: WO2011/76687 A1, 2011 ; Location in patent: Page/Page column 129 ; WO 2011/076687 A1
  • Route2

    References

    • Allergan, Inc. Patent: US2008/255239 A1, 2008 ; Location in patent: Page/Page column 38; 39 ; US 20080255239 A1
  • Route3
    • null|null
      151-50-8
    • null|null
      130680-89-6
    • ~%
    • 3-(2-Fluorophenyl)propanenitrile|CS-0269580
      877149-83-2

    References

    • Allergan, Inc. Patent: US2008/255230 A1, 2008 ; Location in patent: Page/Page column 19 ;

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
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UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   23.79
  • LogP   2.28188
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   2

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