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CS-W001157 4
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Isoindoline-5-carbonitrile hydrochloride

  • CAS No. 1159823-51-4

  • Cat. No. CS-0042975
  • Purity≥97%
  • MDL No.MFCD10700140

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

Isoindoline-5-carbonitrile hydrochloride|CS-0042975

Structure of 1159823-51-4

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General Information

  • CAS No. 1159823-51-4
  • Cat. No. CS-0042975
  • Purity ≥97%
  • MDL No. MFCD10700140
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉ClN₂
  • Molecular Weight 180.63
  • Synonym(s) 2,3-Dihydro-1H-isoindole-5-carbonitrile hydrochloride
  • SMILES N#CC1=CC2=C(CNC2)C=C1.[H]Cl

Description

Isoindoline-5-carbonitrile hydrochloride offers a stable, moisture-tolerant platform for constructing nitrogen-rich heterocycles. The electron-deficient nitrile group enables efficient coupling reactions, while the protonated isoindoline core enhances solubility in polar media. This scaffold integrates readily into pharmaceutical intermediates and functional materials under standard conditions.

Application

Isoindoline-5-carbonitrile hydrochloride serves as a versatile building block for heterocyclic synthesis, enabling efficient access to substituted isoindolines via standard functional group transformations. Its nitrile group facilitates nucleophilic additions and cyclizations, while the hydrochloride salt enhances bench stability and ease of handling. The compound functions reliably in coupling reactions and serves as a key intermediate in the construction of bioactive scaffolds.

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   35.82
  • LogP   1.58328
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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