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CS-W001157 4
Total: USD 88.00

1-Benzyl-3-nitro-1h-pyrazole

  • CAS No. 898053-27-5

  • Cat. No. CS-0124056
  • Purity≥98%
  • MDL No.MFCD04969944

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

1-Benzyl-3-nitro-1h-pyrazole|CS-0124056

Structure of 898053-27-5

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General Information

  • CAS No. 898053-27-5
  • Cat. No. CS-0124056
  • Purity ≥98%
  • MDL No. MFCD04969944
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₉N₃O₂
  • Molecular Weight 203.20
  • Synonym(s) 1-Benzyl-3-methyl-3,7-dihydro-purine-2,6-dione
  • SMILES O=[N+](C1=NN(CC2=CC=CC=C2)C=C1)[O-]

Synthesis

  • Route1
    • null|null
      100-39-0
    • ~85%
    • 1-Benzyl-3-nitro-1h-pyrazole|CS-0124056
      898053-27-5

    References

    • Berthel, Steven Joseph; Kester, Robert Francis; Murphy, Douglas Eric; Prins, Thomas Jay; Ruebsam, Frank; Sarabu, Ramakanth; Tran, Chinh Viet; Vourloumis, Dionisios Patent: US2008/21032 A1, 2008 ; Location in patent: Page/Page column 36 ; US 20080021032 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

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Computational Chemistry Data

  • TPSA   60.96
  • LogP   1.8396
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   3

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