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CS-W001157 4
Total: USD 88.00

3-(4-Bromophenyl)-4,5-dihydro-1h-1,2,4-triazol-5-one

  • CAS No. 33199-41-6

  • Cat. No. CS-0216307
  • Molecule weight240.06
  • Purity95+%
  • MDL No.None

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

3-(4-Bromophenyl)-4,5-dihydro-1h-1,2,4-triazol-5-one|CS-0216307

Structure of 33199-41-6

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General Information

  • CAS No. 33199-41-6
  • Cat. No. CS-0216307
  • Purity 95+%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆BrN₃O
  • Molecular Weight 240.06
  • Synonym(s) 5-(4-bromophenyl)-2H-1,2,4-triazol-3(4H)-one
  • SMILES O=C1NC(C2=CC=C(Br)C=C2)=NN1

Synthesis

  • Route1
    • null|null
      62287-34-7
    • ~65%
    • 3-(4-Bromophenyl)-4,5-dihydro-1h-1,2,4-triazol-5-one|CS-0216307
      33199-41-6

    References

    • Alekseeva, V. Ya.; Boitkov, Yu. A.; Viktorovskii, I. V.; V'yunov, K. A. Chemistry of Heterocyclic Compounds (New York, NY, United States), 1986 , vol. 22, # 11 p. 1258 - 1261 Khimiya Geterotsiklicheskikh Soedinenii, 1986 , vol. 22, # 11 p. 1553 - 1556
  • Route2
    • null|null
      120445-43-4
    • ~%
    • 3-(4-Bromophenyl)-4,5-dihydro-1h-1,2,4-triazol-5-one|CS-0216307
      33199-41-6

    References

    • Alekseeva, V. Ya.; Boitkov, Yu. A.; Viktorovskii, I. V.; V'yunov, K. A. Chemistry of Heterocyclic Compounds (New York, NY, United States), 1986 , vol. 22, # 11 p. 1258 - 1261 Khimiya Geterotsiklicheskikh Soedinenii, 1986 , vol. 22, # 11 p. 1553 - 1556
  • Route3
    • 5-(4-Bromo-phenyl)-[1,3,4]oxadiazol-2-ylamine|CS-0072664
      33621-62-4
    • ~%
    • 3-(4-Bromophenyl)-4,5-dihydro-1h-1,2,4-triazol-5-one|CS-0216307
      33199-41-6

    References

    • Alekseeva, V. Ya.; Boitkov, Yu. A.; Viktorovskii, I. V.; V'yunov, K. A. Chemistry of Heterocyclic Compounds (New York, NY, United States), 1986 , vol. 22, # 11 p. 1258 - 1261 Khimiya Geterotsiklicheskikh Soedinenii, 1986 , vol. 22, # 11 p. 1553 - 1556

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   61.54
  • LogP   1.5275
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   1

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