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CS-W001157 4
Total: USD 88.00

1-(Chloromethyl)-4-ethynylbenzene

  • CAS No. 10601-98-6

  • Cat. No. CS-0685363
  • Purity≥98%
  • MDL No.MFCD19233016

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

1-(Chloromethyl)-4-ethynylbenzene|CS-0685363

Structure of 10601-98-6

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General Information

  • CAS No. 10601-98-6
  • Cat. No. CS-0685363
  • Purity ≥98%
  • MDL No. MFCD19233016
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₇Cl
  • Molecular Weight 150.60
  • Synonym(s) None
  • SMILES C#CC1=CC=C(C=C1)CCl

Description

1-(Chloromethyl)-4-ethynylbenzene features a reactive chloromethyl group paired with a terminal alkyne, enabling efficient coupling reactions. This bifunctional architecture supports modular synthesis in click chemistry and conjugation workflows. The molecule exhibits high stability under standard conditions, facilitating handling and integration into complex molecular architectures.

Application

1-(Chloromethyl)-4-ethynylbenzene serves as a versatile building block for copper-catalyzed azide-alkyne cycloaddition (CuAAC) and Suzuki-Miyaura coupling reactions. The chloromethyl group enables efficient functionalization via nucleophilic substitution, while the terminal alkyne supports robust click chemistry applications. This bifunctional architecture facilitates rapid assembly of complex molecular scaffolds with excellent bench stability and straightforward purification.

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 3261
Class : 8
Packing Group : Ⅱ
Hazard Statements : H314
Precautionary Statements : P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P363-P405-P501

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Computational Chemistry Data

  • TPSA   0
  • LogP   2.4067
  • H_Acceptors   0
  • H_Donors   0
  • Rotatable_Bonds   1

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