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CS-W001157 4
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Methyl 1-isopropyl-4-nitro-1H-pyrazole-3-carboxylate

  • CAS No. 923283-85-6

  • Cat. No. CS-0555390
  • Molecule weight213.19
  • Purity≥98%
  • MDL No.None

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

Methyl 1-isopropyl-4-nitro-1H-pyrazole-3-carboxylate|CS-0555390

Structure of 923283-85-6

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General Information

  • CAS No. 923283-85-6
  • Cat. No. CS-0555390
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₁N₃O₄
  • Molecular Weight 213.19
  • Synonym(s) 1H-Pyrazole-3-carboxylic acid, 1-(1-methylethyl)-4-nitro-, methyl ester
  • SMILES CC(C)N1C=C(C(=N1)C(=O)OC)[N+](=O)[O-]

Synthesis

  • Route1
    • null|null
      75-30-9
    • In-stock
      Methyl 4-nitro-1H-pyrazole-5-carboxylate|CS-W009019
      138786-86-4
    • ~38%
    • Methyl 1-isopropyl-4-nitro-1H-pyrazole-3-carboxylate|CS-0555390
      923283-85-6
    • Methyl 2-isopropyl-4-nitro-pyrazole-3-carboxylate|CS-0183527
      923283-86-7

    References

    • Sunesis Pharmaceuticals, Inc. Patent: US2007/27166 A1, 2007 ; Location in patent: Page/Page column 100 ; US 20070027166 A1

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
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Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   87.26
  • LogP   1.1588
  • H_Acceptors   6
  • H_Donors   0
  • Rotatable_Bonds   3

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