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CS-W001157 4
Total: USD 88.00

4-((1H-1,2,4-Triazol-3-yl)methyl)benzonitrile

  • CAS No. 112809-25-3

  • Cat. No. CS-0170216
  • Molecule weight184.20
  • Purity≥98%
  • MDL No.MFCD07368016

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

4-((1H-1,2,4-Triazol-3-yl)methyl)benzonitrile|CS-0170216

Structure of 112809-25-3

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General Information

  • CAS No. 112809-25-3
  • Cat. No. CS-0170216
  • Purity ≥98%
  • MDL No. MFCD07368016
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₈N₄
  • Molecular Weight 184.20
  • Synonym(s) Letrozole Intermediate
  • SMILES N#CC1=CC=C(C=C1)CN2N=CN=C2

Synthesis

  • Route1

    References

    • US2007/66831 A1, ; Page/Page column 7-8 ;
  • Route2

    References

    • European Journal of Medicinal Chemistry, , vol. 46, # 9 p. 4010 - 4024
  • Route3

    References

    • WO2007/107733 A1, ; Page/Page column 13-14; 16-17 ;

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 : P260-P261-P264-P270-P271-P280-P301+P310-P302+P352-P304+P340-P304+P341-P305+P351+P338-P312-P330-P332+P313-P337+P313-P362+P364-P363-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   54.5
  • LogP   1.19808
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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