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CS-W001157 4
Total: USD 88.00

1,3,6,8-Tetrakis[p-benzoic acid]pyrene

  • CAS No. 933047-52-0

  • Cat. No. CS-0110040
  • Purity≥97%
  • MDL No.MFCD30478418

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

1,3,6,8-Tetrakis[p-benzoic acid]pyrene|CS-0110040

Structure of 933047-52-0

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General Information

  • CAS No. 933047-52-0
  • Cat. No. CS-0110040
  • Purity ≥97%
  • MDL No. MFCD30478418
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄₄H₂₆O₈
  • Molecular Weight 682.68
  • Synonym(s) 4,4',4'',4'''-(Pyrene-1,3,6,8-tetrayl)tetrabenzoic acid
  • SMILES O=C(O)C1=CC=C(C=C1)C2=CC(C=3C=CC(=CC3)C(=O)O)=C4C=CC=5C(=CC(C6=CC=C(C=C6)C(=O)O)=C7C=CC2=C4C75)C8=CC=C(C=C8)C(=O)O

Description

1,3,6,8-Tetrakis[p-benzoic acid]pyrene features four para-benzoic acid substituents strategically positioned on the pyrene core, enhancing solubility and enabling robust conjugation in supramolecular architectures. This arrangement facilitates precise molecular recognition and integration into functional materials.

Application

1,3,6,8-Tetrakis[p-benzoic acid]pyrene serves as a highly functionalized polycyclic aromatic scaffold with four para-carboxylic acid groups positioned at key symmetry-equivalent sites. Its robust structure enables facile derivatization via amide or ester formation, supports metal coordination for supramolecular assembly, and facilitates purification through ion-exchange chromatography. The molecule exhibits excellent bench stability and tolerance to common synthetic conditions, making it a practical building block for advanced materials and molecular architecture.

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   149.2
  • LogP   10.0448
  • H_Acceptors   4
  • H_Donors   4
  • Rotatable_Bonds   8

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