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CS-W001157 4
Total: USD 88.00

2-(4-Ethynylphenyl)acetonitrile

  • CAS No. 351002-90-9

  • Cat. No. CS-W016438
  • Purity≥96%
  • MDL No.MFCD05664204

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

2-(4-Ethynylphenyl)acetonitrile|CS-W016438

Structure of 351002-90-9

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General Information

  • CAS No. 351002-90-9
  • Cat. No. CS-W016438
  • Purity ≥96%
  • MDL No. MFCD05664204
  • Storage -20°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₇N
  • Molecular Weight 141.17
  • Synonym(s) None
  • SMILES N#CCC1=CC=C(C#C)C=C1

Description

2-(4-Ethynylphenyl)acetonitrile features a terminal alkyne tethered to a para-substituted phenyl ring, enabling efficient copper-catalyzed azide-alkyne cycloaddition (CuAAC). The nitrile group provides enhanced solubility and stability under standard reaction conditions. This scaffold integrates readily into bioconjugation workflows and functional materials synthesis.

Application

2-(4-Ethynylphenyl)acetonitrile serves as a versatile building block in transition-metal-catalyzed coupling reactions, enabling efficient access to conjugated aryl-alkyne architectures. The molecule combines a terminal alkyne and nitrile functionality, offering orthogonal reactivity for Sonogashira couplings and subsequent transformations. Its bench-stable nature and straightforward purification make it well-suited for iterative synthesis in medicinal chemistry and materials science applications.

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 3439
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H302+H312-H315-H319-H331-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   23.79
  • LogP   1.73398
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   1

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