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CS-W001157 4
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1-[4-(pyridin-4-yl)phenyl]ethan-1-one

  • CAS No. 70581-00-9

  • Cat. No. CS-0265079
  • Molecule weightNone
  • Purity≥97%
  • MDL No.MFCD11932665

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

1-[4-(pyridin-4-yl)phenyl]ethan-1-one|CS-0265079

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General Information

  • CAS No. 70581-00-9
  • Cat. No. CS-0265079
  • Purity ≥97%
  • MDL No. MFCD11932665
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₁NO
  • Molecular Weight None
  • Synonym(s) 4-pyridin-4-yl-benzophenone
  • SMILES CC(C1=CC=C(C2=CC=NC=C2)C=C1)=O

Description

This pyridine-phenyl ketone features a rigid, planar architecture that enhances π-stacking interactions in supramolecular assemblies. The conjugated system supports efficient charge transfer, making it valuable in organic semiconductor design and metal-ligand coordination chemistry.

Application

1-[4-(Pyridin-4-yl)phenyl]ethan-1-one serves as a versatile building block for constructing conjugated aryl ketones and heterocyclic scaffolds. Its dual aromatic systems enable robust π–π interactions in crystal engineering and facilitate transition-metal-catalyzed coupling reactions. The ketone functionality offers high stability and compatibility with common protecting group strategies, enabling straightforward functionalization in medicinal chemistry and materials synthesis workflows.

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 : P260-P264-P270-P271-P280-P301+P310-P302+P352-P304+P340-P305+P351+P338-P312-P330-P332+P313-P337+P313-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   29.96
  • LogP   2.9512
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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