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CS-W001157 4
Total: USD 88.00

1-(tert-Butyl)-4-nitro-1H-pyrazole

  • CAS No. 97421-12-0

  • Cat. No. CS-0207669
  • Molecule weight169.18
  • Purity≥95%
  • MDL No.MFCD11845714

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

1-(tert-Butyl)-4-nitro-1H-pyrazole|CS-0207669

Structure of 97421-12-0

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General Information

  • CAS No. 97421-12-0
  • Cat. No. CS-0207669
  • Purity ≥95%
  • MDL No. MFCD11845714
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₁N₃O₂
  • Molecular Weight 169.18
  • Synonym(s) 1-(1,1-dimethylethyl)-4-nitro-1H-Pyrazole
  • SMILES CC(C)(C)N1C=C(C=N1)[N+](=O)[O-]

Synthesis

  • Route1
    • In-stock
      4-Nitropyrazole|CS-W002458
      2075-46-9
    • null|null
      507-19-7
    • ~64%
    • In-stock
      1-(tert-Butyl)-4-nitro-1H-pyrazole|CS-0207669
      97421-12-0

    References

    • Oguro, Yuya; Miyamoto, Naoki; Takagi, Terufumi; Okada, Kengo; Awazu, Yoshiko; Miki, Hiroshi; Hori, Akira; Kamiyama, Keiji; Imamura, Shinichi Bioorganic and Medicinal Chemistry, 2010 , vol. 18, # 20 p. 7150 - 7163
  • Route2

    References

    • DECIPHERA PHARMACEUTICALS, LLC Patent: WO2008/33999 A2, 2008 ; Location in patent: Page/Page column 84 ;
  • Route3
    • In-stock
      4-Nitropyrazole|CS-W002458
      2075-46-9
    • null|null
      540-88-5
    • ~%
    • In-stock
      1-(tert-Butyl)-4-nitro-1H-pyrazole|CS-0207669
      97421-12-0

    References

    • EXELIXIS, INC.; WILLIAMS, Matthew, A. Patent: WO2012/61337 A1, 2012 ; Location in patent: Page/Page column 48 ; WO 2012/061337 A1

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   1.5463
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   1

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