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CS-W001157 4
Total: USD 88.00

3,5-Dimethyl-1-(4-nitrophenyl)pyrazole

  • CAS No. 13788-94-8

  • Cat. No. CS-0206292
  • Molecule weight217.22
  • Purity≥98%
  • MDL No.MFCD00187810

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

3,5-Dimethyl-1-(4-nitrophenyl)pyrazole|CS-0206292

Structure of 13788-94-8

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General Information

  • CAS No. 13788-94-8
  • Cat. No. CS-0206292
  • Purity ≥98%
  • MDL No. MFCD00187810
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₁N₃O₂
  • Molecular Weight 217.22
  • Synonym(s) 3,5-Dimethyl-1-(4-nitrophenyl)-1H-pyrazole
  • SMILES O=[N+](C1=CC=C(N2N=C(C)C=C2C)C=C1)[O-]

Synthesis

  • Route1
    • null|null
      100-16-3
    • null|null
      123-54-6
    • ~74%
    • 3,5-Dimethyl-1-(4-nitrophenyl)pyrazole|CS-0206292
      13788-94-8

    References

    • Sloop, Joseph C.; Jackson, James L.; Schmidt, Robert D. Heteroatom Chemistry, 2009 , vol. 20, # 6 p. 341 - 345
  • Route2
    • null|null
      81586-02-9
    • ~90%
    • 3,5-Dimethyl-1-(4-nitrophenyl)pyrazole|CS-0206292
      13788-94-8

    References

    • Butler, Richard N.; James, John P. Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1982 , p. 553 - 555
  • Route3

    References

    • Alberola, Angel; Calvo Bleye, Luis; Gonzalez-Ortega, Alfonso; Sadaba, M.Luisa; Sanudo, M.Carme Heterocycles, 2001 , vol. 55, # 2 p. 331 - 352

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   60.96
  • LogP   2.39734
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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