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4,5-dichlorothiophene-3-carboxylic acid Apixaban Impurity

  • CAS No. 123418-70-2

  • Cat. No. CS-0165980
  • Purity95+%
  • MDL No.MFCD01108757

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

4,5-dichlorothiophene-3-carboxylic acid  Apixaban Impurity|CS-0165980

Structure of 123418-70-2

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General Information

  • CAS No. 123418-70-2
  • Cat. No. CS-0165980
  • Purity 95+%
  • MDL No. MFCD01108757
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₂Cl₂O₂S
  • Molecular Weight 197.04
  • Synonym(s) 4,5-dichlorothiophene-3-carboxylic Acid
  • SMILES O=C(C1=CSC(Cl)=C1Cl)O

Synthesis

  • Route1
    • 4,5-Dichlorothiophene-3-carbaldehyde|CS-0237250
      61200-59-7
    • ~%
    • 4,5-dichlorothiophene-3-carboxylic acid  Apixaban Impurity|CS-0165980
      123418-70-2

    References

    • Bioorganic and Medicinal Chemistry Letters, , vol. 16, # 21 p. 5567 - 5571
  • Route2

    References

    • Bioorganic and Medicinal Chemistry Letters, , vol. 16, # 21 p. 5567 - 5571
  • Route3

    References

    • Monatshefte fuer Chemie, , vol. 120, p. 53 - 63

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-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   2.7531
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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