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CS-W001157 4
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2-(3-Methyl-4-nitro-1h-pyrazol-1-yl)acetic acid

  • CAS No. 956204-54-9

  • Cat. No. CS-0262711
  • Molecule weight185.14
  • Purity95+%
  • MDL No.None

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

2-(3-Methyl-4-nitro-1h-pyrazol-1-yl)acetic acid|CS-0262711

Structure of 956204-54-9

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General Information

  • CAS No. 956204-54-9
  • Cat. No. CS-0262711
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₇N₃O₄
  • Molecular Weight 185.14
  • Synonym(s) (3-METHYL-4-NITRO-PYRAZOL-1-YL)-ACETIC ACID
  • SMILES CC1=NN(C=C1[N+](=O)[O-])CC(=O)O

Synthesis

  • Route1
    • Methyl 2-(3-methyl-4-nitro-1h-pyrazol-1-yl)acetate|CS-0233153
      1005640-17-4
    • ~%
    • 2-(3-Methyl-4-nitro-1h-pyrazol-1-yl)acetic acid|CS-0262711
      956204-54-9

    References

    • NOVARTIS AG; FURET, Pascal; KALTHOFF, Frank Stephan; MAH, Robert; RAGOT, Christian; STAUFFER, Frederic Patent: WO2010/139731 A1, 2010 ; Location in patent: Page/Page column 101 ; WO 2010/139731 A1

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302+H312+H332-H315-H319
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P501

Quality Control

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Computational Chemistry Data

  • TPSA   98.26
  • LogP   0.18432
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   3

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