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CS-W001157 4
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3-Hydrazinylbenzonitrile hydrochloride

  • CAS No. 2881-99-4

  • Cat. No. CS-W005765
  • Molecule weight169.61
  • Purity≥96%
  • MDL No.MFCD03094642

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

3-Hydrazinylbenzonitrile hydrochloride|CS-W005765

Structure of 2881-99-4

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General Information

  • CAS No. 2881-99-4
  • Cat. No. CS-W005765
  • Purity ≥96%
  • MDL No. MFCD03094642
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₈ClN₃
  • Molecular Weight 169.61
  • Synonym(s) 3-Cyanophenylhydrazine hydrochloride
  • SMILES N#CC1=CC(NN)=CC=C1.Cl

Description

3-Hydrazinylbenzonitrile hydrochloride features a hydrazino group directly attached to a benzonitrile scaffold, enabling direct incorporation into azo and triazole scaffolds. The hydrochloride salt enhances solubility and stability in aqueous and polar organic media, simplifying handling under standard bench conditions. This compound serves as a reactive intermediate for bioconjugation and heterocycle synthesis.

Application

3-Hydrazinylbenzonitrile hydrochloride serves as a versatile building block for heterocyclic synthesis, enabling efficient access to triazoles, imidazoles, and other nitrogen-rich scaffolds via cyclization reactions. Its hydrazine functionality reacts readily with aldehydes, ketones, and activated carbonyls under mild conditions, offering high chemoselectivity and ease of purification. The hydrochloride salt enhances bench stability and solubility in polar solvents, facilitating use in standard medicinal chemistry workflows and scale-up processes.

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

Quality Control

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Computational Chemistry Data

  • TPSA   61.84
  • LogP   1.26568
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   1

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