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CS-W001157 4
Total: USD 88.00

(4-Chloro-benzenesulfonyl)-acetic acid

  • CAS No. 3405-89-8

  • Cat. No. CS-0072651
  • Purity≥97%
  • MDL No.MFCD00201948

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

(4-Chloro-benzenesulfonyl)-acetic acid|CS-0072651

Structure of 3405-89-8

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General Information

  • CAS No. 3405-89-8
  • Cat. No. CS-0072651
  • Purity ≥97%
  • MDL No. MFCD00201948
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇ClO₄S
  • Molecular Weight 234.66
  • Synonym(s) 2-[(4-Chlorophenyl)Sulfonyl]Acetic Acid
  • SMILES O=S(CC(O)=O)(C1=CC=C(Cl)C=C1)=O

Synthesis

  • Route1

    References

    • Mirskova, A.N.; Kryukova, Yu.I.; Levkovskaya, G.G.; Guseva, S.A.; Voronkov, M.G. Journal of Organic Chemistry USSR (English Translation), 1984 , vol. 20, # 3 p. 545 - 550 Zhurnal Organicheskoi Khimii, 1984 , vol. 20, # 3 p. 602 - 608
  • Route2
    • null|null
      106-54-7
    • ~%
    • (4-Chloro-benzenesulfonyl)-acetic acid|CS-0072651
      3405-89-8

    References

    • Journal of pharmaceutical sciences, , vol. 54, # 4 p. 576 - 580
  • Route3
    • Methyl 2-(4-chlorobenzenesulfonyl)acetate|CS-0236121
      15446-25-0
    • ~48%
    • (4-Chloro-benzenesulfonyl)-acetic acid|CS-0072651
      3405-89-8

    References

    • Mirskova, A.N.; Kryukova, Yu.I.; Levkovskaya, G.G.; Guseva, S.A.; Voronkov, M.G. Journal of Organic Chemistry USSR (English Translation), 1984 , vol. 20, # 3 p. 545 - 550 Zhurnal Organicheskoi Khimii, 1984 , vol. 20, # 3 p. 602 - 608

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   71.44
  • LogP   1.1983
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   3

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