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CS-W001157 4
Total: USD 88.00

Coumarin-3-carboxylic Acid

  • CAS No. 531-81-7

  • Cat. No. CS-0071992
  • Purity≥97%
  • MDL No.MFCD00006852

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

Coumarin-3-carboxylic Acid|CS-0071992

Structure of 531-81-7

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General Information

  • CAS No. 531-81-7
  • Cat. No. CS-0071992
  • Purity ≥97%
  • MDL No. MFCD00006852
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₆O₄
  • Molecular Weight 190.15
  • Synonym(s) 2-Oxochromene-3-carboxylic acid
  • SMILES O=C(O1)C(C(O)=O)=CC2=C1C=CC=C2

Description

Coumarin-3-carboxylic acid features a rigid coumarin core with a carboxylic acid group at the 3-position, enabling direct conjugation or derivatization. This structure imparts enhanced solubility and polarity, facilitating use in fluorescent labeling, medicinal chemistry, and polymer functionalization under standard conditions.

Synthesis

  • Route1
    • In-stock
      Meldrum's acid|CS-D1154
      2033-24-1
    • null|null
      90-02-8
    • ~97%
    • In-stock
      Coumarin-3-carboxylic Acid|CS-0071992
      531-81-7

    References

    • Bardajee, Ghasem Rezanejade; Jafarpour, Farnaz; Afsari, Hamid Samareh Central European Journal of Chemistry, 2010 , vol. 8, # 2 p. 370 - 374
  • Route2

    References

    • Zhou, Xiang; Wang, Xiao-Bing; Wang, Tao; Kong, Ling-Yi Bioorganic and Medicinal Chemistry, 2008 , vol. 16, # 17 p. 8011 - 8021
  • Route3
    • null|null
      141-82-2
    • In-stock
      2-Methylbenzyl alcohol|CS-0152955
      89-95-2
    • ~92%
    • In-stock
      Coumarin-3-carboxylic Acid|CS-0071992
      531-81-7

    References

    • Bigi, Franca; Chesini, Luca; Maggi, Raimondo; Sartori, Giovanni Journal of Organic Chemistry, 1999 , vol. 64, # 3 p. 1033 - 1035

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301
Precautionary Statements : P264-P270-P330-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   67.51
  • LogP   1.4912
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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