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CS-W001157 4
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5'-(4-Carboxyphenyl)-2',4',6'-trimethyl-[1,1':3',1''-terphenyl]-4,4''-dicarboxylic acid

  • CAS No. 1246562-60-6

  • Cat. No. CS-0110842
  • Purity≥97%
  • MDL No.None

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

5'-(4-Carboxyphenyl)-2',4',6'-trimethyl-[1,1':3',1''-terphenyl]-4,4''-dicarboxylic acid|CS-0110842

Structure of 1246562-60-6

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General Information

  • CAS No. 1246562-60-6
  • Cat. No. CS-0110842
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₃₀H₂₄O₆
  • Molecular Weight 480.52
  • Synonym(s) Mesitylenetribenzoicacid
  • SMILES O=C(O)C=1C=CC(=CC1)C2=C(C(C=3C=CC(=CC3)C(=O)O)=C(C(C=4C=CC(=CC4)C(=O)O)=C2C)C)C

Description

This terphenyl-based dicarboxylic acid features two para-carboxyphenyl groups flanking a central triaryl core, enabling robust conjugation and dual functionality. The electron-deficient aryl framework supports efficient coordination in metal-organic frameworks and facilitates derivatization under standard conditions.

Application

This terphenyl-based dicarboxylic acid serves as a versatile building block for conjugated molecular architectures, enabling efficient functionalization via standard esterification and amidation protocols. Its ortho-methyl substitution enhances stability and facilitates purification, while the carboxy groups enable robust coupling reactions under mild conditions. The molecule functions effectively in the synthesis of advanced ligands, organic semiconductors, and scaffold platforms for medicinal chemistry applications.

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   111.9
  • LogP   6.70746
  • H_Acceptors   3
  • H_Donors   3
  • Rotatable_Bonds   6

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