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CS-W001157 4
Total: USD 88.00

4-Methylsulphonylbenzoic acid Etoricoxib Impurity

  • CAS No. 4052-30-6

  • Cat. No. CS-0229443
  • Purity≥98%
  • MDL No.MFCD00007564

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

4-Methylsulphonylbenzoic acid Etoricoxib  Impurity|CS-0229443

Structure of 4052-30-6

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General Information

  • CAS No. 4052-30-6
  • Cat. No. CS-0229443
  • Purity ≥98%
  • MDL No. MFCD00007564
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₈O₄S
  • Molecular Weight 200.21
  • Synonym(s) p-Methylsulfonylbenzoic acid
  • SMILES CS(C1=CC=C(C(O)=O)C=C1)(=O)=O

Synthesis

  • Route1

    References

    • Wang, Xinbo; Wang, David Zhigang Tetrahedron, 2011 , vol. 67, # 19 p. 3406 - 3411
  • Route2

    References

    • Fringuelli; Pellegrino; Piermatti; Pizzo Synthetic Communications, 1994 , vol. 24, # 18 p. 2665 - 2673
  • Route3

    References

    • Webb, Kevin S. Tetrahedron Letters, 1994 , vol. 35, # 21 p. 3457 - 3460

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   71.44
  • LogP   0.7883
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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