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CS-W001157 4
Total: USD 88.00

Methyl 4-(methylsulfonyl)benzoate

  • CAS No. 22821-70-1

  • Cat. No. CS-0130067
  • Purity≥98%
  • MDL No.MFCD00100037

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

Methyl 4-(methylsulfonyl)benzoate|CS-0130067

Structure of 22821-70-1

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General Information

  • CAS No. 22821-70-1
  • Cat. No. CS-0130067
  • Purity ≥98%
  • MDL No. MFCD00100037
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₀O₄S
  • Molecular Weight 214.24
  • Synonym(s) Methyl-4-(methylsulfonyl)benzolcarboxylat
  • SMILES O=C(OC)C1=CC=C(S(=O)(C)=O)C=C1

Synthesis

  • Route1

    References

    • Zhu, Wei; Ma, Dawei Journal of Organic Chemistry, 2005 , vol. 70, # 7 p. 2696 - 2700
  • Route2

    References

    • Beaulieu, Christian; Guay, Daniel; Wang, Zhaoyin; Evans, David A. Tetrahedron Letters, 2004 , vol. 45, # 16 p. 3233 - 3236
  • Route3
    • 4-Methylsulphonylbenzoic acid Etoricoxib  Impurity|CS-0229443
      4052-30-6
    • null|null
      74-88-4
    • ~%
    • In-stock
      Methyl 4-(methylsulfonyl)benzoate|CS-0130067
      22821-70-1

    References

    • Organic and Biomolecular Chemistry, , vol. 12, # 13 p. 2114 - 2127

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   60.44
  • LogP   0.8767
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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