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Dibenzo[b,d]thiophene-4-carboxylic acid

  • CAS No. 2786-08-5

  • Cat. No. CS-0103032
  • Purity≥98%
  • MDL No.MFCD00092754

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

Dibenzo[b,d]thiophene-4-carboxylic acid|CS-0103032

Structure of 2786-08-5

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General Information

  • CAS No. 2786-08-5
  • Cat. No. CS-0103032
  • Purity ≥98%
  • MDL No. MFCD00092754
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₈O₂S
  • Molecular Weight 228.27
  • Synonym(s) 4-Dibenzothiophenecarboxylic acid
  • SMILES O=C(C1=C2C(C3=CC=CC=C3S2)=CC=C1)O

Description

Dibenzo[b,d]thiophene-4-carboxylic acid features a rigid, planar polycyclic core with enhanced electron-deficient character, enabling effective integration into conjugated materials. The carboxylic acid group provides a versatile handle for derivatization and surface anchoring, supporting applications in organic semiconductors and functional coatings under standard conditions.

Application

Dibenzo[b,d]thiophene-4-carboxylic acid serves as a versatile building block in the synthesis of polycyclic aromatic systems and bioactive heterocycles. Its carboxylic acid functionality enables direct derivatization via amide, ester, or acyl chloride formation, while the rigid fused ring system provides structural stability and π-conjugation beneficial for materials science and medicinal chemistry applications. The compound exhibits excellent bench stability and facilitates straightforward purification, making it well-suited for iterative synthetic sequences and scale-up processes.

Synthesis

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    • In-stock
      Dibenzo[b,d]thiophene-4-carboxylic acid|CS-0103032
      2786-08-5

    References

    • Burger; Bryant Journal of Organic Chemistry, 1939 , vol. 4, p. 119,122 Journal of the American Chemical Society, 1941 , vol. 63, p. 1054,1056

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-H312-H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P501

Quality Control

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   3.7527
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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