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CS-W001157 4
Total: USD 88.00

5-Chlorobenzotriazole

  • CAS No. 94-97-3

  • Cat. No. CS-0040225
  • Purity≥98%
  • MDL No.MFCD00005700

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

5-Chlorobenzotriazole|CS-0040225

Structure of 94-97-3

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General Information

  • CAS No. 94-97-3
  • Cat. No. CS-0040225
  • Purity ≥98%
  • MDL No. MFCD00005700
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₄ClN₃
  • Molecular Weight 153.57
  • Synonym(s) 5-chloro-1,3-benzothiazole; 5-Chlorobenzotriazole
  • SMILES ClC1=CC=C2N=NNC2=C1

Description

5-Chlorobenzotriazole is a bench-stable, moisture-tolerant heterocycle featuring a chlorine substituent at the 5-position. This electron-deficient triazole scaffold enables efficient coupling reactions in synthetic organic chemistry and serves as a valuable building block for pharmaceutical intermediates and functional materials.

Synthesis

  • Route1

    References

    • Valizadeh, Hassan; Gholipour, Hamid; Mahmoodian, Manzar Synthetic Communications, 2013 , vol. 43, # 20 p. 2801 - 2808
  • Route2
    • null|null
      78633-58-6
    • ~68%
    • In-stock
      5-Chlorobenzotriazole|CS-0040225
      94-97-3

    References

    • Neykova; Simov; Galunska; Velichkova; Galabov; Karparov Arzneimittel-Forschung/Drug Research, 1981 , vol. 31, # 5 p. 747 - 752
  • Route3
    • null|null
      89-63-4
    • ~%
    • In-stock
      5-Chlorobenzotriazole|CS-0040225
      94-97-3

    References

    • Arzneimittel-Forschung/Drug Research, , vol. 31, # 5 p. 747 - 752

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   41.57
  • LogP   1.6113
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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