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CS-W001157 4
Total: USD 88.00

5-Phenyl-1H-pyrazole-3-carboxylic acid

  • CAS No. 5071-61-4

  • Cat. No. CS-W022423
  • Purity≥98%
  • MDL No.MFCD05170017

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

5-Phenyl-1H-pyrazole-3-carboxylic acid|CS-W022423

Structure of 5071-61-4

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General Information

  • CAS No. 5071-61-4
  • Cat. No. CS-W022423
  • Purity ≥98%
  • MDL No. MFCD05170017
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₈N₂O₂
  • Molecular Weight 188.19
  • Synonym(s) 3-phenyl-1H-pyrazole-5-carboxylic acid
  • SMILES O=C(C1=NNC(C2=CC=CC=C2)=C1)O

Synthesis

  • Route1

    References

    • PROXIMAGEN LIMITED; MEO, Paul; STEWART, Alison; HOBBS, Christopher Patent: WO2014/20351 A1, 2014 ; Location in patent: Page/Page column 36 ;
  • Route2
    • null|null
      1092970-84-7
    • ~87%
    • In-stock
      5-Phenyl-1H-pyrazole-3-carboxylic acid|CS-W022423
      5071-61-4

    References

    • Ermolenko, Mikhail S.; Guillou, Sandrine; Janin, Yves L. Tetrahedron, 2013 , vol. 69, # 1 p. 257 - 263
  • Route3

    References

    • Ermolenko, Mikhail S.; Guillou, Sandrine; Janin, Yves L. Tetrahedron, 2013 , vol. 69, # 1 p. 257 - 263

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   65.98
  • LogP   1.7749
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   2

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