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CS-W001157 4
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1-(4-Chlorophenyl)-1h-pyrazole-4-carboxylic acid

  • CAS No. 138907-80-9

  • Cat. No. CS-0216447
  • Molecule weight222.63
  • Purity≥98%
  • MDL No.None

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

1-(4-Chlorophenyl)-1h-pyrazole-4-carboxylic acid|CS-0216447

Structure of 138907-80-9

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General Information

  • CAS No. 138907-80-9
  • Cat. No. CS-0216447
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₇ClN₂O₂
  • Molecular Weight 222.63
  • Synonym(s) 1-(4-chlorophenyl)pyrazole-4-carboxylic Acid
  • SMILES C1=C(C=CC(=C1)N2C=C(C=N2)C(=O)O)Cl

Synthesis

  • Route1

    References

    • PROTEOSTASIS THERAPEUTICS, INC. Patent: US2012/316193 A1, 2012 ; Location in patent: Page/Page column 44 ;
  • Route2
    • Ethyl 1-(4-chlorophenyl)-1h-pyrazole-4-carboxylate|CS-0686511
      110821-33-5
    • ~%
    • In-stock
      1-(4-Chlorophenyl)-1h-pyrazole-4-carboxylic acid|CS-0216447
      138907-80-9

    References

    • Ishibuchi, Seigo; Morimoto, Hiroshi; Oe, Takanori; Ikebe, Tsuguo; Inoue, Hiroyoshi; Fukunari, Atsushi; Kamezawa, Miho; Yamada, Ichimaro; Naka, Yoichi Bioorganic and Medicinal Chemistry Letters, 2001 , vol. 11, # 7 p. 879 - 882
  • Route3

    References

    • Ishibuchi, Seigo; Morimoto, Hiroshi; Oe, Takanori; Ikebe, Tsuguo; Inoue, Hiroyoshi; Fukunari, Atsushi; Kamezawa, Miho; Yamada, Ichimaro; Naka, Yoichi Bioorganic and Medicinal Chemistry Letters, 2001 , vol. 11, # 7 p. 879 - 882

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-P280-P302+P352

Quality Control

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Computational Chemistry Data

  • TPSA   55.12
  • LogP   2.2239
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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