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CS-W001157 4
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5-(3-Fluorophenyl)-1,2-dihydro-3h-1,2,4-triazol-3-imine

  • CAS No. 502685-67-8

  • Cat. No. CS-0269148
  • Purity≥95%
  • MDL No.None

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

5-(3-Fluorophenyl)-1,2-dihydro-3h-1,2,4-triazol-3-imine|CS-0269148

Structure of 502685-67-8

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General Information

  • CAS No. 502685-67-8
  • Cat. No. CS-0269148
  • Purity ≥95%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇FN₄
  • Molecular Weight 178.17
  • Synonym(s) 5-(3-Fluorophenyl)-4H-1,2,4-triazol-3-amine
  • SMILES C1=CC(=CC(=C1)F)C2=NC(=N)NN2

Synthesis

  • Route1

    References

    • Bera, Hriday; Tan, Bee Jen; Sun, Lingyi; Dolzhenko, Anton V.; Chui, Wai-Keung; Chiu, Gigi Nagar Chee European Journal of Medicinal Chemistry, 2013 , vol. 67, p. 325 - 334
  • Route2

    References

    • Bera, Hriday; Tan, Bee Jen; Sun, Lingyi; Dolzhenko, Anton V.; Chui, Wai-Keung; Chiu, Gigi Nagar Chee European Journal of Medicinal Chemistry, 2013 , vol. 67, p. 325 - 334

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

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Computational Chemistry Data

  • TPSA   68.32
  • LogP   1.02337
  • H_Acceptors   2
  • H_Donors   3
  • Rotatable_Bonds   1

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