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CS-W001157 4
Total: USD 88.00

1-Phenyl-5-(propan-2-yl)-1h-pyrazole-4-carboxylic acid

  • CAS No. 116344-18-4

  • Cat. No. CS-0245800
  • Molecule weight230.26
  • Purity95+%
  • MDL No.None

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

1-Phenyl-5-(propan-2-yl)-1h-pyrazole-4-carboxylic acid|CS-0245800

Structure of 116344-18-4

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General Information

  • CAS No. 116344-18-4
  • Cat. No. CS-0245800
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₄N₂O₂
  • Molecular Weight 230.26
  • Synonym(s) 5-isopropyl-1-phenyl-1H-pyrazole-4-carboxylic acid
  • SMILES CC(C)C1=C(C=NN1C2=CC=CC=C2)C(=O)O

Synthesis

  • Route1
    • null|null
      116344-13-9
    • ~91%
    • 1-Phenyl-5-(propan-2-yl)-1h-pyrazole-4-carboxylic acid|CS-0245800
      116344-18-4

    References

    • Journal of Heterocyclic Chemistry, , vol. 24, # 6 p. 1669 - 1675
  • Route2
    • Ethyl (Z)-2-((dimethylamino)methylene)-4-methyl-3-oxopentanoate|CS-0635874
      116344-09-3
    • ~%
    • 1-Phenyl-5-(propan-2-yl)-1h-pyrazole-4-carboxylic acid|CS-0245800
      116344-18-4

    References

    • Journal of Heterocyclic Chemistry, , vol. 24, # 6 p. 1669 - 1675

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-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   55.12
  • LogP   2.6939
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   3

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