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5-Propylthiophene-2-carboxylic acid

  • CAS No. 63068-73-5

  • Cat. No. CS-0196015
  • Purity≥97%
  • MDL No.None

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

5-Propylthiophene-2-carboxylic acid|CS-0196015

Structure of 63068-73-5

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General Information

  • CAS No. 63068-73-5
  • Cat. No. CS-0196015
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₀O₂S
  • Molecular Weight 170.23
  • Synonym(s) 5-PROPYL-THIOPHENE-2-CARBOXYLIC ACID
  • SMILES CCCC1=CC=C(C(=O)O)S1

Synthesis

  • Route1

    References

    • Bolli, Martin H.; Velker, Joerg; Mueller, Claus; Mathys, Boris; Birker, Magdalena; Bravo, Roberto; Bur, Daniel; De Kanter, Ruben; Hess, Patrick; Kohl, Christopher; Lehmann, David; Meyer, Solange; Nayler, Oliver; Rey, Markus; Scherz, Michael; Steiner, Beat Journal of Medicinal Chemistry, 2014 , vol. 57, # 1 p. 78 - 97
  • Route2
    • 2-Propylthiophene|CS-0138003
      1551-27-5
    • ~%
    • 5-Propylthiophene-2-carboxylic acid|CS-0196015
      63068-73-5

    References

    • Ruffi Chemische Berichte, 1887 , vol. 20, p. 1747
  • Route3
    • 5-Propylthiophene-2-carbaldehyde|CS-0196318
      35250-76-1
    • ~%
    • 5-Propylthiophene-2-carboxylic acid|CS-0196015
      63068-73-5

    References

    • King; Nord Journal of Organic Chemistry, 1948 , vol. 13, p. 635,637

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   37.3
  • LogP   2.3988
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   3

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