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CS-W001157 4
Total: USD 88.00

2-(benZylthio)-4-chlorobenzoic acid

  • CAS No. 40183-35-5

  • Cat. No. CS-0236396
  • Purity≥97%
  • MDL No.None

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

2-(benZylthio)-4-chlorobenzoic acid|CS-0236396

Structure of 40183-35-5

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General Information

  • CAS No. 40183-35-5
  • Cat. No. CS-0236396
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₁ClO₂S
  • Molecular Weight 278.75
  • Synonym(s) 4-Chloro-2-[(phenylMethyl)thio]benzoic Acid
  • SMILES C1=CC=C(C=C1)CSC2=C(C=CC(=C2)Cl)C(=O)O

Synthesis

  • Route1
    • 2,4-Dichlorobenzoic acid Furosemide Impurity|CS-0229669
      50-84-0
    • null|null
      100-53-8
    • ~63%
    • 2-(benZylthio)-4-chlorobenzoic acid|CS-0236396
      40183-35-5

    References

    • Hrib, Nicholas J.; Jurcak, John G.; Bregna, Deborah E.; Burgher, Kendra L.; Hartman, Harold B.; Kafka, Sharon; Kerman, Lisa L.; Kongsamut, Sam; Roehr, Joachim E.; Szewczak, Mark R.; Woods-Kettelberger, Ann T.; Corbett, Roy Journal of Medicinal Chemistry, 1996 , vol. 39, # 20 p. 4044 - 4057
  • Route2
    • 4-Chloro-2-mercaptobenzoic acid|CS-0656947
      20324-49-6
    • null|null
      100-44-7
    • ~%
    • 2-(benZylthio)-4-chlorobenzoic acid|CS-0236396
      40183-35-5

    References

    • Clarke,K. et al. Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1973 , p. 356 - 359

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-H312-H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P501

Quality Control

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   4.3305
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   4

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