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CS-W001157 4
Total: USD 88.00

2-Fluoro-6-(methylthio)benzonitrile

  • CAS No. 119584-71-3

  • Cat. No. CS-0442303
  • Molecule weight167.20
  • Purity≥95%
  • MDL No.None

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

2-Fluoro-6-(methylthio)benzonitrile|CS-0442303

Structure of 119584-71-3

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General Information

  • CAS No. 119584-71-3
  • Cat. No. CS-0442303
  • Purity ≥95%
  • MDL No. None
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆FNS
  • Molecular Weight 167.20
  • Synonym(s) 2-fluoro-6-(methylsulfanyl)benzonitrile
  • SMILES CSC1=CC=CC(=C1C#N)F

Synthesis

  • Route1
    • In-stock
      2,6-Difluorobenzonitrile|CS-W016481
      1897-52-5
    • null|null
      5188-07-8
    • ~16%
    • In-stock
      2-Fluoro-6-(methylthio)benzonitrile|CS-0442303
      119584-71-3

    References

    • Rodgers, James D.; Shepard, Stacey; Arvanitis, Argyrios G.; Wang, Haisheng; Storace, Louis; Folmer, Beverly; Shao, Lixin; Zhu, Wenyu; Glenn, Joseph Patent: US2010/298334 A1, 2010 ; Location in patent: Page/Page column 58-59 ; US 20100298334 A1
  • Route2
    • null|null
      74-93-1
    • In-stock
      2,6-Difluorobenzonitrile|CS-W016481
      1897-52-5
    • ~73%
    • null|null
      51271-33-1
    • In-stock
      2-Fluoro-6-(methylthio)benzonitrile|CS-0442303
      119584-71-3

    References

    • Hynes, John B.; Pathak, Alpana; Panos, Constantina H.; Okeke, Claudia C. Journal of Heterocyclic Chemistry, 1988 , vol. 25, p. 1173 - 1177
  • Route3
    • 2-Fluoro-6-sulfanylbenzonitrile|CS-0233811
      138249-39-5
    • null|null
      74-88-4
    • ~%
    • In-stock
      2-Fluoro-6-(methylthio)benzonitrile|CS-0442303
      119584-71-3

    References

    • Joensson, Stig; Andersson, Gunnar; Fex, Tomas; Fristedt, Tomas; Hedlund, Gunnar; Jansson, Karl; Abramo, Lisbeth; Fritzson, Ingela; Pekarski, Olga; Runstroem, Anna; Sandin, Helena; Thuvesson, Ingela; Bjoerk, Anders Journal of Medicinal Chemistry, 2004 , vol. 47, # 8 p. 2075 - 2088

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-H312-H315-H319-H332-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   2.41928
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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