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CS-W001157 4
Total: USD 88.00

4-(4H-1,2,4-Triazol-4-yl)aniline

  • CAS No. 52761-74-7

  • Cat. No. CS-0434701
  • Molecule weight160.18
  • Purity≥95%
  • MDL No.MFCD07395922

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

4-(4H-1,2,4-Triazol-4-yl)aniline|CS-0434701

Structure of 52761-74-7

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General Information

  • CAS No. 52761-74-7
  • Cat. No. CS-0434701
  • Purity ≥95%
  • MDL No. MFCD07395922
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₈N₄
  • Molecular Weight 160.18
  • Synonym(s) 4-(1,2,4-Triazol-4-yl)aniline
  • SMILES NC1=CC=C(N2C=NN=C2)C=C1

Synthesis

  • Route1
    • null|null
      103-84-4
    • ~75%
    • In-stock
      4-(4H-1,2,4-Triazol-4-yl)aniline|CS-0434701
      52761-74-7

    References

    • Merck, Sharp and Dohme Ltd. Patent: US5554629 A1, 1996 ;
  • Route2
    • N-(4-(4H-1,2,4-triazol-4-yl)phenyl)acetamide|CS-0447193
      154594-15-7
    • ~75%
    • In-stock
      4-(4H-1,2,4-Triazol-4-yl)aniline|CS-0434701
      52761-74-7

    References

    • Sternfeld, Francine; Baker, Raymond; Broughton, Howard B.; Guiblin, Alexander R.; Jelley, Richard A.; Matassa, Victor G.; Reeve, Austin J.; Beer, Margaret S.; Stanton, Josephine A.; Hargreaves, Richard J.; Shepheard, Sara L.; Longmore, Jeanette; Razzaque, Zerin; Graham, Michael I.; Sohal, Bindi; Street, Leslie J. Bioorganic and Medicinal Chemistry Letters, 1996 , vol. 6, # 15 p. 1825 - 1830
  • Route3

    References

    • Sternfeld, Francine; Baker, Raymond; Broughton, Howard B.; Guiblin, Alexander R.; Jelley, Richard A.; Matassa, Victor G.; Reeve, Austin J.; Beer, Margaret S.; Stanton, Josephine A.; Hargreaves, Richard J.; Shepheard, Sara L.; Longmore, Jeanette; Razzaque, Zerin; Graham, Michael I.; Sohal, Bindi; Street, Leslie J. Bioorganic and Medicinal Chemistry Letters, 1996 , vol. 6, # 15 p. 1825 - 1830

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301
Precautionary Statements : P264-P270-P330-P405-P501

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Computational Chemistry Data

  • TPSA   56.73
  • LogP   0.8495
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   1

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