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CS-W001157 4
Total: USD 88.00

4,6-Di(4-carboxyphenyl)pyrimidine

  • CAS No. 609356-00-5

  • Cat. No. CS-0170072
  • Molecule weight320.30
  • Purity≥97%
  • MDL No.MFCD32709670

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

4,6-Di(4-carboxyphenyl)pyrimidine|CS-0170072

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General Information

  • CAS No. 609356-00-5
  • Cat. No. CS-0170072
  • Purity ≥97%
  • MDL No. MFCD32709670
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₈H₁₂N₂O₄
  • Molecular Weight 320.30
  • Synonym(s) 4,4'-(Pyrimidine-4,6-diyl)dibenzoic acid
  • SMILES O=C(O)C=1C=CC(=CC1)C2=NC=NC(=C2)C=3C=CC(=CC3)C(=O)O

Description

4,6-Di(4-carboxyphenyl)pyrimidine features a rigid, electron-deficient pyrimidine core flanked by carboxyphenyl groups, enabling robust coordination in metal-organic frameworks. This structure supports high thermal stability and facilitates integration into functional materials for optoelectronic applications.

Application

4,6-Di(4-carboxyphenyl)pyrimidine serves as a versatile building block for constructing conjugated molecular architectures, enabling efficient metal-catalyzed coupling reactions due to its orthogonal functionalization. The pyrimidine core provides structural rigidity and enhanced electronic delocalization, while the carboxyphenyl groups facilitate downstream derivatization via amide or ester formation. This compound exhibits excellent bench stability and ease of purification, making it well-suited for applications in organic electronics and heterocyclic synthesis.

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-P280-P302+P352

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Computational Chemistry Data

  • TPSA   100.38
  • LogP   3.207
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   4

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