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CS-W001157 4
Total: USD 88.00

5-Chloro-4-nitrothiophene-2-carboxylic acid methyl ester

  • CAS No. 57800-76-7

  • Cat. No. CS-W022357
  • Purity≥97%
  • MDL No.MFCD08275718

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

5-Chloro-4-nitrothiophene-2-carboxylic acid methyl ester|CS-W022357

Structure of 57800-76-7

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General Information

  • CAS No. 57800-76-7
  • Cat. No. CS-W022357
  • Purity ≥97%
  • MDL No. MFCD08275718
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₄ClNO₄S
  • Molecular Weight 221.62
  • Synonym(s) None
  • SMILES O=C(C1=CC([N+]([O-])=O)=C(Cl)S1)OC

Synthesis

  • Route1

    References

    • Japan Tobacco Inc. Patent: EP1688420 A1, 2006 ; Location in patent: Page/Page column 122 ;
  • Route2
    • 5-Chlorothiophene-2-carboxylic acid Rivaroxaban impurity|CS-0169291
      24065-33-6
    • ~%
    • In-stock
      5-Chloro-4-nitrothiophene-2-carboxylic acid methyl ester|CS-W022357
      57800-76-7

    References

    • Journal of the American Chemical Society, , vol. 74, p. 2965,2969

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

Quality Control

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Computational Chemistry Data

  • TPSA   69.44
  • LogP   2.0963
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   2

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