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CS-W001157 4
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Methyl 5-nitrothiophene-3-carboxylate

  • CAS No. 88770-22-3

  • Cat. No. CS-0251392
  • Molecule weight187.17
  • Purity≥97%
  • MDL No.None

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

Methyl 5-nitrothiophene-3-carboxylate|CS-0251392

Structure of 88770-22-3

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General Information

  • CAS No. 88770-22-3
  • Cat. No. CS-0251392
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₅NO₄S
  • Molecular Weight 187.17
  • Synonym(s) methyl 5-nitrothiophene-3-carboxylate(WX191350)
  • SMILES C1([N+]([O-])=O)=CC(C(=O)OC)=CS1

Synthesis

  • Route1

    References

    • F2G LTD Patent: WO2006/123145 A1, 2006 ; Location in patent: Page/Page column 44 ;
  • Route2

    References

    • SCHERING CORPORATION Patent: WO2008/156614 A2, 2008 ; Location in patent: Page/Page column 130-131 ; WO 2008/156614 A2
  • Route3

    References

    • Lange, Udo E.W.; Backfisch, Gisela; Delzer, Juergen; Geneste, Herve; Graef, Claudia; Hornberger, Wilfried; Kling, Andreas; Lauterbach, Arnulf; Subkowski, Thomas; Zechel, Christian Bioorganic and Medicinal Chemistry Letters, 2002 , vol. 12, # 10 p. 1379 - 1382

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

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Computational Chemistry Data

  • TPSA   69.44
  • LogP   1.4429
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   2

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