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1-(2-Fluorophenyl)cyclobutane-1-carbonitrile

  • CAS No. 28049-63-0

  • Cat. No. CS-0215545
  • Purity95+%
  • MDL No.None

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

1-(2-Fluorophenyl)cyclobutane-1-carbonitrile|CS-0215545

Structure of 28049-63-0

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General Information

  • CAS No. 28049-63-0
  • Cat. No. CS-0215545
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₀FN
  • Molecular Weight 175.20
  • Synonym(s) Cyclobutanecarbonitrile, 1-(2-fluorophenyl)-
  • SMILES C1=CC=C(C(=C1)C2(CCC2)C#N)F

Synthesis

  • Route1

    References

    • AbbVie Inc.; Bayburt, Erol K.; Clapham, Bruce; Cox, Phil B.; Daanen, Jerome F.; Gomtsyan, Arthur; Kort, Michael E.; Kym, Philip R.; Voight, Eric A. Patent: US2013/150409 A1, 2013 ; Location in patent: Paragraph 0253 ;
  • Route2
    • null|null
      142-28-9
    • ~77%
    • 1-(2-Fluorophenyl)cyclobutane-1-carbonitrile|CS-0215545
      28049-63-0

    References

    • ELI LILLY AND COMPANY Patent: WO2005/66126 A1, 2005 ; Location in patent: Page/Page column 43 ; WO 2005/066126 A1

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   23.79
  • LogP   2.77098
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   1

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