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CS-W001157 4
Total: USD 88.00

3-Nitro-1H-pyrrole

  • CAS No. 5930-94-9

  • Cat. No. CS-W008547
  • Molecule weight112.09
  • Purity≥97%
  • MDL No.MFCD00059714

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

3-Nitro-1H-pyrrole|CS-W008547

Structure of 5930-94-9

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General Information

  • CAS No. 5930-94-9
  • Cat. No. CS-W008547
  • Purity ≥97%
  • MDL No. MFCD00059714
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄H₄N₂O₂
  • Molecular Weight 112.09
  • Synonym(s) 3-Nitropyrrole
  • SMILES O=[N+](C1=CNC=C1)[O-]

Description

3-Nitro-1H-pyrrole delivers a highly reactive nitro group positioned adjacent to the pyrrole nitrogen, enabling efficient functionalization in heterocyclic synthesis. This electron-deficient variant enhances electrophilic substitution rates and serves as a key intermediate in bioactive compound development.

Application

3-Nitro-1H-pyrrole serves as a versatile building block for nitrogen-containing heterocycles, enabling direct functionalization at the C3 position. Its nitro group facilitates subsequent transformations such as reduction to an amine or participation in cycloaddition reactions. The compound exhibits sufficient bench stability and compatibility with common synthetic protocols, making it suitable for use in medicinal chemistry and process development workflows.

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   58.93
  • LogP   0.9229
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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