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CS-W001157 4
Total: USD 88.00

3-(4-Nitrophenyl)-1,2,4-oxadiazole

  • CAS No. 16013-14-2

  • Cat. No. CS-0204937
  • Purity≥98%
  • MDL No.MFCD00274808

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

3-(4-Nitrophenyl)-1,2,4-oxadiazole|CS-0204937

Structure of 16013-14-2

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General Information

  • CAS No. 16013-14-2
  • Cat. No. CS-0204937
  • Purity ≥98%
  • MDL No. MFCD00274808
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅N₃O₃
  • Molecular Weight 191.14
  • Synonym(s) 3-(4-nitrophenyl)[1,2,4]oxadiazole
  • SMILES O=[N+]([O-])C1=CC=C(C2=NOC=N2)C=C1

Description

3-(4-Nitrophenyl)-1,2,4-oxadiazole features a rigid, electron-deficient oxadiazole core linked to a para-nitrophenyl group, enhancing its utility in conjugated systems. This structure supports efficient charge transfer and stability under standard conditions, making it valuable for materials synthesis and chemical biology applications.

Application

3-(4-Nitrophenyl)-1,2,4-oxadiazole serves as a robust heterocyclic building block for medicinal chemistry and materials science, enabling efficient construction of bioactive scaffolds. Its electron-deficient aromatic system enhances reactivity in nucleophilic substitution and transition-metal-catalyzed coupling reactions. The molecule exhibits excellent bench stability, facilitates straightforward purification via recrystallization, and demonstrates broad functional group tolerance in standard synthetic workflows.

Safety Information

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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   82.06
  • LogP   1.6448
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   2

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