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CS-W001157 4
Total: USD 88.00

5-Nitroisoindoline hydrochloride

  • CAS No. 400727-69-7

  • Cat. No. CS-0135021
  • Purity≥96%
  • MDL No.MFCD08234716

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

5-Nitroisoindoline hydrochloride|CS-0135021

Structure of 400727-69-7

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General Information

  • CAS No. 400727-69-7
  • Cat. No. CS-0135021
  • Purity ≥96%
  • MDL No. MFCD08234716
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₉ClN₂O₂
  • Molecular Weight 200.62
  • Synonym(s) 5-nitro-2,3-dihydro-1H-isoindole,hydrochloride
  • SMILES O=[N+](C1=CC2=C(CNC2)C=C1)[O-].[H]Cl

Description

5-Nitroisoindoline hydrochloride offers a stable, moisture-tolerant platform for constructing electron-deficient heterocycles. This bench-stable salt integrates readily into synthetic workflows, enabling efficient access to functionalized isoindolines via cross-coupling or reductive amination. The para-nitro group enhances reactivity in transition metal-catalyzed transformations.

Application

5-Nitroisoindoline hydrochloride serves as a stable, bench-ready building block for the synthesis of nitrogen-containing heterocycles and pharmaceutical intermediates. Its nitro group enables convenient reduction to an amine, while the isoindoline core supports diverse functionalization. The hydrochloride salt enhances solubility and handling, facilitating use in standard coupling and cyclization reactions.

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   55.17
  • LogP   1.6198
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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