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CS-W001157 4
Total: USD 88.00

1-(4-Nitrothiophen-2-yl)ethan-1-one

  • CAS No. 42791-51-5

  • Cat. No. CS-0132916
  • Molecule weight171.17
  • Purity≥96%
  • MDL No.MFCD00178253

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

1-(4-Nitrothiophen-2-yl)ethan-1-one|CS-0132916

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General Information

  • CAS No. 42791-51-5
  • Cat. No. CS-0132916
  • Purity ≥96%
  • MDL No. MFCD00178253
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₅NO₃S
  • Molecular Weight 171.17
  • Synonym(s) 1-(4-Nitrothiophen-2-yl)ethanone
  • SMILES CC(C1=CC([N+]([O-])=O)=CS1)=O

Synthesis

  • Route1

    References

    • VERTEX PHARMACEUTICALS INCORPORATED Patent: WO2004/41813 A1, 2004 ; Location in patent: Page 109 ; WO 2004/041813 A1
  • Route2

    References

    • Malicorne; Bompart; Giral; Despaux European Journal of Medicinal Chemistry, 1991 , vol. 26, # 1 p. 3 - 11
  • Route3
    • In-stock
      2-Acetylthiophene|CS-W020047
      88-15-3
    • ~%
    • In-stock
      1-(4-Nitrothiophen-2-yl)ethan-1-one|CS-0132916
      42791-51-5
    • null|null
      65967-45-5

    References

    • Deady, Leslie W.; Stanborough, Mark S. Australian Journal of Chemistry, 1981 , vol. 34, # 6 p. 1295 - 1302

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-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   60.21
  • LogP   1.8589
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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