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4-Nitrothiophene-2-carbonitrile

  • CAS No. 42137-24-6

  • Cat. No. CS-0078644
  • Purity≥97%
  • MDL No.MFCD03426907

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

4-Nitrothiophene-2-carbonitrile|CS-0078644

Structure of 42137-24-6

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General Information

  • CAS No. 42137-24-6
  • Cat. No. CS-0078644
  • Purity ≥97%
  • MDL No. MFCD03426907
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₂N₂O₂S
  • Molecular Weight 154.15
  • Synonym(s) 5-Nitro-3-thiophenecarbonitrile
  • SMILES N#CC1=CC([N+]([O-])=O)=CS1

Synthesis

  • Route1

    References

    • METHYLGENE INC. Patent: WO2008/104077 A1, 2008 ; Location in patent: Page/Page column 46-47 ;
  • Route2
    • 4-Nitrothiophene-2-carboxamide|CS-0927445
      36050-08-5
    • ~90%
    • In-stock
      4-Nitrothiophene-2-carbonitrile|CS-0078644
      42137-24-6

    References

    • Koch, Uwe; Attenni, Barbara; Malancona, Savina; Colarusso, Stefania; Conte, Immacolata; Di Filippo, Marcello; Harper, Steven; Pacini, Barbara; Giomini, Claudia; Thomas, Steven; Incitti, Ilario; Tomei, Licia; De Francesco, Raffaele; Altamura, Sergio; Matassa, Victor G.; Narjes, Frank Journal of Medicinal Chemistry, 2006 , vol. 49, # 5 p. 1693 - 1705
  • Route3
    • null|null
      1003-31-2
    • ~29%
    • In-stock
      4-Nitrothiophene-2-carbonitrile|CS-0078644
      42137-24-6

    References

    • Consiglio Nazionale Delle Ricerche Patent: US4767758 A1, 1988 ;

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-H319-H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P501

Quality Control

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Computational Chemistry Data

  • TPSA   66.93
  • LogP   1.52798
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   1

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