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CS-W001157 4
Total: USD 88.00

3-(2-Fluorophenyl)isoxazole-5-carboxylic acid

  • CAS No. 842973-74-4

  • Cat. No. CS-0639377
  • Purity≥97%
  • MDL No.None
  • 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.

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

3-(2-Fluorophenyl)isoxazole-5-carboxylic acid|CS-0639377

Structure of 842973-74-4

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Description

This isoxazole derivative features a 2-fluorophenyl group conjugated to a carboxylic acid-functionalized isoxazole core, enabling direct integration into bioactive scaffolds. The electron-deficient isoxazole ring facilitates efficient coupling reactions, while the ortho-fluoro substitution enhances metabolic stability and modulates electronic properties for targeted interactions in medicinal chemistry applications.

Application

3-(2-Fluorophenyl)isoxazole-5-carboxylic acid serves as a versatile building block in medicinal chemistry, enabling the construction of bioactive heterocycles through standard coupling and functionalization reactions. Its ortho-fluoro substitution enhances metabolic stability and modulates electronic properties, while the carboxylic acid group facilitates direct derivatization or conjugation. The molecule exhibits excellent bench stability and is compatible with common synthetic protocols, making it well-suited for lead optimization and API intermediate development.

General Information

  • CAS No. 842973-74-4
  • Cat. No. CS-0639377
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₆FNO₃
  • Molecular Weight 207.16
  • Synonym(s) None
  • SMILES O=C(C1=CC(C2=CC=CC=C2F)=NO1)O

Computational Chemistry Data

  • TPSA   63.33
  • LogP   2.1789
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

Safety Information

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GHS Pictogram :
GHS No : GHS06,GHS08,GHS09
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group :
Hazard Statements : H301-H312+H332-H317-H319-H341-H351-H370-H371-H373-H410
Precautionary Statements : P260-P261-P264-P270-P271-P272-P273-P280-P302+P352-P304+P340-P330-P362+P364-P391-P405-P501

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