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CS-W001157 4
Total: USD 88.00

Isothiazole-4-carboxylic acid

  • CAS No. 822-82-2

  • Cat. No. CS-D0308
  • Purity≥95%
  • MDL No.MFCD08704791
  • HazMat Fee +

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    Each bottle is packed as an Excepted Quantity, with a maximum of 1g for items in class 6.1 packing group I or II, and up to 25g for all other hazardous materials.

    If shipping is charged to your FedEx account, the HazMat fee will be billed directly by the courier. Otherwise, the fee will be included on your invoice. To help you avoid the HazMat fee, we can package a 5g order of a class 6.1 packing group I or II material as five separate 1g units, and a 100g order of any other dangerous good as four 25g units. This packaging adjustment will be made unless you instruct otherwise on your purchase order. Below, you will find the fee schedule from FedEx for handling hazardous materials.

    Type
    HazMat Fee
    Excepted Quantity $0.00
    FedEx Limited Quantities Ground $0.00
    Hazmat Ground shipping $50.00+
    Inaccessible (Haz class 6.1 or 9), Domestic $68.00+
    Accessible (Haz class 3, 4, 5 or 8), Domestic $158.00+
    Inaccessible (Haz class 6.1 or 9), International $108.00+
    Accessible (Haz class 3, 4, 5 or 8), International $238.00+

    An item is classified as a dangerous good if our website displays Hazardous Material (HazMat) information for it.

    There is a HazMat shipping fee for each item that qualifies as a dangerous good. Please contact our quotation team via email to confirm the details.

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

Isothiazole-4-carboxylic acid|CS-D0308

Structure of 822-82-2

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Description

Isothiazole-4-carboxylic acid features a fused heterocyclic core with a carboxylic acid group at the 4-position, conferring enhanced solubility and reactivity. This configuration enables direct integration into diverse synthetic scaffolds, particularly in pharmaceutical and agrochemical discovery. The molecule exhibits robust stability under standard bench conditions and serves as a key building block for bioactive compounds.

Application

Isothiazole-4-carboxylic acid serves as a versatile heterocyclic building block for medicinal chemistry and materials science, offering a stable, electron-deficient core with predictable reactivity. Its carboxylic acid group enables direct derivatization via amide, ester, or acyl chloride formation, facilitating integration into diverse molecular architectures. The scaffold exhibits favorable bench stability and compatibility with standard synthetic protocols, making it suitable for modular library synthesis and API development.

General Information

  • CAS No. 822-82-2
  • Cat. No. CS-D0308
  • Purity ≥95%
  • MDL No. MFCD08704791
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄H₃NO₂S
  • Molecular Weight 129.14
  • Synonym(s) Isothiazole-4-carboxylicacid
  • SMILES O=C(C1=CSN=C1)O

Computational Chemistry Data

  • TPSA   50.19
  • LogP   0.8413
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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

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