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CS-W001157 4
Total: USD 88.00

1-(3-Nitrophenyl)-1H-pyrazole

  • CAS No. 25688-18-0

  • Cat. No. CS-0450420
  • Molecule weight189.17
  • Purity≥98%
  • MDL No.None

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

1-(3-Nitrophenyl)-1H-pyrazole|CS-0450420

Structure of 25688-18-0

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General Information

  • CAS No. 25688-18-0
  • Cat. No. CS-0450420
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₇N₃O₂
  • Molecular Weight 189.17
  • Synonym(s) 1-(3-Nitro-phenyl)-1H-pyrazol
  • SMILES C1=CC(=CC(=C1)[N+](=O)[O-])N2C=CC=N2

Synthesis

  • Route1

    References

    • Yang, Minghua; Liu, Fei Journal of Organic Chemistry, 2007 , vol. 72, # 23 p. 8969 - 8971
  • Route2

    References

    • BRISTOL-MYERS SQUIBB COMPANY Patent: WO2003/90912 A1, 2003 ; Location in patent: Page/Page column 85-86 ; WO 03/090912 A1
  • Route3

    References

    • Correa, Arkaitz; Bolm, Carsten Advanced Synthesis and Catalysis, 2007 , vol. 349, # 17-18 p. 2673 - 2676

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-H317-H319-H335
Precautionary Statements : P261-P264-P270-P271-P272-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   60.96
  • LogP   1.7805
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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