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CS-W001157 4
Total: USD 88.00

4-Phenyl-1H-pyrazole-3-carbonitrile

  • CAS No. 21673-04-1

  • Cat. No. CS-0095987
  • Molecule weight169.18
  • Purity≥98%
  • MDL No.MFCD20486377

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

4-Phenyl-1H-pyrazole-3-carbonitrile|CS-0095987

Structure of 21673-04-1

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General Information

  • CAS No. 21673-04-1
  • Cat. No. CS-0095987
  • Purity ≥98%
  • MDL No. MFCD20486377
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₇N₃
  • Molecular Weight 169.18
  • Synonym(s) 2-oxo-4-phenyl-2,5-dihydro-furan-3-carbonitrile
  • SMILES N#CC1=NNC=C1C2=CC=CC=C2

Synthesis

  • Route1
    • null|null
      89864-91-5
    • ~97%
    • In-stock
      4-Phenyl-1H-pyrazole-3-carbonitrile|CS-0095987
      21673-04-1

    References

    • Aoyama, Toyohiko; Inoue, Sumie; Shioiri, Takayuki Tetrahedron Letters, 1984 , vol. 25, # 4 p. 433 - 436
  • Route2
    • 4-Phenyl-3-(trifluoromethyl)-1H-pyrazole|CS-0080483
      96256-53-0
    • ~26%
    • In-stock
      4-Phenyl-1H-pyrazole-3-carbonitrile|CS-0095987
      21673-04-1

    References

    • Yan, Tao; Chen, Yanhong; Wang, Jia; Xie, Yuyuan; Yang, Chunhao Heterocycles, 2012 , vol. 85, # 2 p. 431 - 439
  • Route3
    • null|null
      186581-53-3
    • Cinnamonitrile|CS-0166766
      4360-47-8
    • ~%
    • In-stock
      4-Phenyl-1H-pyrazole-3-carbonitrile|CS-0095987
      21673-04-1

    References

    • v. Auwers; Ungemach Chemische Berichte, 1933 , vol. 66, p. 1198,1201, 1204

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   52.47
  • LogP   1.94838
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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