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CS-W001157 4
Total: USD 88.00

4-Nitro-1H-1,2,3-benzotriazole

  • CAS No. 6299-39-4

  • Cat. No. CS-0043845
  • Purity≥97%
  • MDL No.MFCD00160033
  • AREC Toxic Substance

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

4-Nitro-1H-1,2,3-benzotriazole|CS-0043845

Structure of 6299-39-4

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General Information

  • CAS No. 6299-39-4
  • Cat. No. CS-0043845
  • Purity ≥97%
  • MDL No. MFCD00160033
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₄N₄O₂
  • Molecular Weight None
  • Synonym(s) 4(7)-nitrobenzotriazole
  • SMILES [O-][N+](C1=CC=CC2=C1N=NN2)=O

Description

4-Nitro-1H-1,2,3-benzotriazole features a nitro group at the para position of the benzotriazole ring, enhancing electron deficiency and reactivity in transition metal-catalyzed coupling processes. This bench-stable heterocycle serves as a robust nitrogen-rich scaffold for synthesizing bioactive molecules and functional materials.

Application

4-Nitro-1H-1,2,3-benzotriazole serves as a versatile electrophilic nitration reagent and bench-stable building block in synthetic organic chemistry. It functions as a mild, selective nitrogen source for heterocycle functionalization and enables the construction of complex scaffolds through regioselective substitution reactions. Its compatibility with diverse functional groups and ease of handling make it well-suited for iterative synthesis workflows in medicinal chemistry and process development.

Safety Information

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GHS Pictogram :
GHS No : GHS06,GHS09
Signal Word : Danger
UN#: 3077
Class : 9
Packing Group : Ⅲ
Hazard Statements : H301-H411
Precautionary Statements : P264-P270-P273-P301+P310-P330-P391-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   84.71
  • LogP   0.8661
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   1

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