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CS-W001157 4
Total: USD 88.00

5-Chloro-1-phenyl-3-(trifluoromethyl)pyrazole-4-carbaldehyde

  • CAS No. 318288-78-7

  • Cat. No. CS-0060549
  • Purity98+%
  • MDL No.None

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

5-Chloro-1-phenyl-3-(trifluoromethyl)pyrazole-4-carbaldehyde|CS-0060549

Structure of 318288-78-7

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General Information

  • CAS No. 318288-78-7
  • Cat. No. CS-0060549
  • Purity 98+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₆ClF₃N₂O
  • Molecular Weight 274.63
  • Synonym(s) 5-chloro-3-(trifluoromethyl)-1-phenyl-1H-pyrazole-4-carbaldehyde
  • SMILES C1=CC=C(C=C1)N2C(=C(C=O)C(=N2)C(F)(F)F)Cl

Synthesis

  • Route1

    References

    • Takahashi, Satoru; Ueno, Ryohei; Yamaji, Yoshihiro; Fujinami, Makoto Patent: US2005/256004 A1, 2005 ; Location in patent: Page/Page column 28-29 ;
  • Route2

    References

    • Gilbert, Adam M.; Bursavich, Matthew G.; Lombardi, Sabrina; Georgiadis, Katy E.; Reifenberg, Erica; Flannery, Carl R.; Morris, Elisabeth A. Bioorganic and Medicinal Chemistry Letters, 2007 , vol. 17, # 5 p. 1189 - 1192
  • Route3

    References

    • Wu, Lintao; Song, Baoan; Bhadury, Pinaki S.; Yang, Song; Hu, Deyu; Jin, Linhong Journal of Heterocyclic Chemistry, 2011 , vol. 48, # 2 p. 389 - 396

Safety Information

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UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   34.89
  • LogP   3.357
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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