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Methyl 4-fluoro-3-(methylsulfonyl)benzoate

  • CAS No. 160819-39-6

  • Cat. No. CS-0209300
  • Molecule weight232.23
  • Purity≥98%
  • MDL No.MFCD20491420

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

Methyl 4-fluoro-3-(methylsulfonyl)benzoate|CS-0209300

Structure of 160819-39-6

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General Information

  • CAS No. 160819-39-6
  • Cat. No. CS-0209300
  • Purity ≥98%
  • MDL No. MFCD20491420
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉FO₄S
  • Molecular Weight 232.23
  • Synonym(s) 4-Fluoro-3-methanesulfonyl-benzoic acid methyl ester
  • SMILES COC(=O)C1=CC(=C(C=C1)F)S(=O)(=O)C

Synthesis

  • Route1

    References

    • Baumgarth, Manfred; Beier, Norbert; Gericke, Rolf Journal of Medicinal Chemistry, 1997 , vol. 40, # 13 p. 2017 - 2034
  • Route2

    References

    • Baumgarth, Manfred; Beier, Norbert; Gericke, Rolf Journal of Medicinal Chemistry, 1997 , vol. 40, # 13 p. 2017 - 2034
  • Route3
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      190595-03-0
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      74-88-4
    • ~%
    • Methyl 4-fluoro-3-(methylsulfonyl)benzoate|CS-0209300
      160819-39-6

    References

    • Baumgarth, Manfred; Beier, Norbert; Gericke, Rolf Journal of Medicinal Chemistry, 1997 , vol. 40, # 13 p. 2017 - 2034

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   60.44
  • LogP   1.0158
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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