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CS-W001157 4
Total: USD 88.00

3-Ethynylaniline hydrochloride

  • CAS No. 207226-02-6

  • Cat. No. CS-W006161
  • Purity≥95%
  • MDL No.MFCD12913913

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

3-Ethynylaniline hydrochloride|CS-W006161

Structure of 207226-02-6

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General Information

  • CAS No. 207226-02-6
  • Cat. No. CS-W006161
  • Purity ≥95%
  • MDL No. MFCD12913913
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₈ClN
  • Molecular Weight 153.61
  • Synonym(s) 3-ethynyl-Benzenamine hydrochloride
  • SMILES NC1=CC=CC(C#C)=C1.[H]Cl

Description

3-Ethynylaniline hydrochloride features a terminal alkyne group conjugated to an aniline moiety, enabling efficient copper-catalyzed coupling reactions. This bench-stable salt delivers high functional group tolerance and facilitates rapid access to complex aromatic architectures in synthetic and medicinal chemistry workflows.

Application

3-Ethynylaniline hydrochloride serves as a versatile building block for constructing functionalized anilines and heterocyclic scaffolds. The terminal alkyne group enables reliable copper-catalyzed azide-alkyne cycloaddition (CuAAC), while the aniline nitrogen offers direct derivatization potential. Bench-stable and readily purified, it functions effectively in amide coupling, electrophilic substitution, and transition-metal-catalyzed cross-coupling reactions, facilitating efficient access to advanced intermediates in medicinal chemistry and materials science applications.

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   26.02
  • LogP   1.6719
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   0

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