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CS-W001157 4
Total: USD 88.00

Benzophenone-4,4'-dicarboxylic Acid

  • CAS No. 964-68-1

  • Cat. No. CS-0168170
  • Molecule weight270.24
  • Purity≥95%
  • MDL No.MFCD00016538

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

Benzophenone-4,4'-dicarboxylic Acid|CS-0168170

Structure of 964-68-1

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General Information

  • CAS No. 964-68-1
  • Cat. No. CS-0168170
  • Purity ≥95%
  • MDL No. MFCD00016538
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₅H₁₀O₅
  • Molecular Weight 270.24
  • Synonym(s) Benzophenonedicarboxylicacid
  • SMILES O=C(O)C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C(=O)O

Description

Benzophenone-4,4'-dicarboxylic acid features two carboxylic acid groups positioned para to the central ketone bridge, enabling robust conjugation and coordination in metal-organic frameworks. This rigid, electron-deficient scaffold supports high thermal stability and precise molecular architecture in functional materials design.

Synthesis

  • Route1

    References

    • US2006/47152 A1, ; Page/Page column 39-41 ;
  • Route2

    References

    • Dong, Yuxiang; Tang, Yuanqing; Chollet, Jacques; Matile, Hugues; Wittlin, Sergio; Charman, Susan A.; Charman, William N.; Tomas, Josefina Santo; Scheurer, Christian; Snyder, Christopher; Scorneaux, Bernard; Bajpai, Saroj; Alexander, Scott A.; Wang, Xiaofang; Padmanilayam, Maniyan; Cheruku, Srinivasa R.; Brun, Reto; Vennerstrom, Jonathan L. Bioorganic and Medicinal Chemistry, 2006 , vol. 14, # 18 p. 6368 - 6382
  • Route3

    References

    • WO2002/6201 A1, ; Page 28 ;

Safety Information

Download SDS
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   91.67
  • LogP   2.314
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   4

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