Tel:

Email:

EN
Cat. No. Size / Unit Price Qty
CS-W001157 4
Total: USD 88.00

1,2-Benzothiazole-3-carboxylic acid

  • CAS No. 40991-34-2

  • Cat. No. CS-0072340
  • Purity≥98%
  • MDL No.MFCD01658903

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

1,2-Benzothiazole-3-carboxylic acid|CS-0072340

Structure of 40991-34-2

Please choose your location and provide accurate information for you
Size Stock
Price Quantity

* Please select Quantity before adding items.

General Information

  • CAS No. 40991-34-2
  • Cat. No. CS-0072340
  • Purity ≥98%
  • MDL No. MFCD01658903
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅NO₂S
  • Molecular Weight 179.20
  • Synonym(s) 1,2-Benzisothiazole-3-carboxylic acid
  • SMILES O=C(O)C1=NSC2=C1C=CC=C2

Description

1,2-Benzothiazole-3-carboxylic acid features a fused benzothiazole core with a carboxylic acid group at the 3-position, offering enhanced solubility and reactivity for synthetic applications. This scaffold integrates readily into bioactive molecule frameworks, particularly in medicinal chemistry and materials science, where its electron-deficient heterocyclic system supports targeted conjugation. The compound exhibits bench-stable handling characteristics under standard conditions.

Application

1,2-Benzothiazole-3-carboxylic acid serves as a versatile heterocyclic building block for medicinal chemistry and materials science. Its carboxylic acid functionality enables direct derivatization via amide, ester, or acyl chloride formation, while the fused benzothiazole core provides rigidity and enhanced metabolic stability. The compound exhibits good bench stability and facilitates orthogonal functionalization in multi-step syntheses, making it valuable for constructing complex scaffolds in API development and organic electronic materials.

Synthesis

  • Route1
    • Benzo[d]isothiazole-3-carboxamide|CS-0480092
      16807-21-9
    • ~97%
    • In-stock
      1,2-Benzothiazole-3-carboxylic acid|CS-0072340
      40991-34-2

    References

    • Intellectual Property Department BASF Aktiengesellschaft Patent: US2002/28748 A1, 2002 ;
  • Route2
    • null|null
      108-98-5
    • ~%
    • In-stock
      1,2-Benzothiazole-3-carboxylic acid|CS-0072340
      40991-34-2

    References

    • Intellectual Property Department BASF Aktiengesellschaft Patent: US2002/28748 A1, 2002 ;
  • Route3

    References

    • Intellectual Property Department BASF Aktiengesellschaft Patent: US2002/28748 A1, 2002 ;

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

Quality Control

To search for quality control of cas , please enter both the product number and the lot/batch number.

Computational Chemistry Data

  • TPSA   50.19
  • LogP   1.9945
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

Other Classifications

Recently Viewed Products

Leave US a Message
Upload Pictures

Key Words

  • 1,2-Benzothiazole-3-carboxylic acid sigma1,2-Benzothiazole-3-carboxylic acid manufacturer1,2-Benzothiazole-3-carboxylic acid price1,2-Benzothiazole-3-carboxylic acid structure1,2-Benzothiazole-3-carboxylic acid SDSbuy 1,2-Benzothiazole-3-carboxylic acid1,2-Benzothiazole-3-carboxylic acid supplier1,2-Benzothiazole-3-carboxylic acid uses1,2-Benzothiazole-3-carboxylic acid molecular weightprice of 1,2-Benzothiazole-3-carboxylic acid1,2-Benzothiazole-3-carboxylic acid chemical name formula of 1,2-Benzothiazole-3-carboxylic acid
This product is not sold in the region.
Confirm
How to get a Lot Number

Lot numbers can be found on the outside label of a product:

ChemScene Label