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CS-W001157 4
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3-(1H-pyrazol-1-yl)benzonitrile

  • CAS No. 25699-82-5

  • Cat. No. CS-0464960
  • Purity≥98%
  • MDL No.MFCD07772807

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

3-(1H-pyrazol-1-yl)benzonitrile|CS-0464960

Structure of 25699-82-5

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General Information

  • CAS No. 25699-82-5
  • Cat. No. CS-0464960
  • Purity ≥98%
  • MDL No. MFCD07772807
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₇N₃
  • Molecular Weight 169.18
  • Synonym(s) N-(3-cyanophenyl)pyrazole
  • SMILES C1=CC(=CC(=C1)N2C=CC=N2)C#N

Synthesis

  • Route1

    References

    • Yang, Minghua; Liu, Fei Journal of Organic Chemistry, 2007 , vol. 72, # 23 p. 8969 - 8971
  • Route2
    • null|null
      544-92-3
    • null|null
      151-50-8
    • In-stock
      3-(1-Pyrazolyl)aniline|CS-0156890
      184097-88-9
    • ~65%
    • 3-(1H-pyrazol-1-yl)benzonitrile|CS-0464960
      25699-82-5

    References

    • De La Hoz, Antonio; Diaz-Ortiz, Angel; Elguero, Jose; Martinez, Luis J.; Moreno, Andres; Sanchez-Migallon, Ana Tetrahedron, 2001 , vol. 57, # 20 p. 4397 - 4403
  • Route3
    • 1-(3-Nitrophenyl)-1H-pyrazole|CS-0450420
      25688-18-0
    • ~%
    • 3-(1H-pyrazol-1-yl)benzonitrile|CS-0464960
      25699-82-5

    References

    • De La Hoz, Antonio; Diaz-Ortiz, Angel; Elguero, Jose; Martinez, Luis J.; Moreno, Andres; Sanchez-Migallon, Ana Tetrahedron, 2001 , vol. 57, # 20 p. 4397 - 4403

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-H312-H315-H319-H332-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   41.61
  • LogP   1.74398
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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