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CS-W001157 4
Total: USD 88.00

4-(Phenylsulfonyl)benzoic acid

  • CAS No. 5361-54-6

  • Cat. No. CS-0142121
  • Purity≥98%
  • MDL No.MFCD00568775

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

4-(Phenylsulfonyl)benzoic acid|CS-0142121

Structure of 5361-54-6

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General Information

  • CAS No. 5361-54-6
  • Cat. No. CS-0142121
  • Purity ≥98%
  • MDL No. MFCD00568775
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₀O₄S
  • Molecular Weight 262.28
  • Synonym(s) Benzoic acid, 4-(phenylsulfonyl)-
  • SMILES O=C(O)C1=CC=C(S(=O)(C2=CC=CC=C2)=O)C=C1

Synthesis

  • Route1

    References

    • Wyeth Patent: US2006/19965 A1, 2006 ; Location in patent: Page/Page column 77 ; US 20060019965 A1
  • Route2
    • null|null
      7402-76-8
    • ~70%
    • In-stock
      4-(Phenylsulfonyl)benzoic acid|CS-0142121
      5361-54-6

    References

    • MERCK SERONO S.A.; THUNUGUNTLA, Siva Sanjeeva Rao; SUBRAMANYA, Hosahalli; KUNNAM, Satish Reddy; SANIVARU VIJAY, Sekhar Reddy; BINGI, Chakrapani; KUSANUR, Raviraj; SCHWARZ, Matthias; ARLT, Michael Patent: WO2010/115736 A2, 2010 ; Location in patent: Page/Page column 109 ; WO 2010/115736 A2
  • Route3

    References

    • WO2012/31196 A1, ; Page/Page column 241 ; WO 2012/031196 A1

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   71.44
  • LogP   2.2176
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   3

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