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CS-W001157 4
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3-Fluoro-2-(pyrimidin-2-yl)benzoic acid

  • CAS No. 1293285-04-7

  • Cat. No. CS-0433595
  • Purity≥95%
  • 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.

    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.

3-Fluoro-2-(pyrimidin-2-yl)benzoic acid|CS-0433595

Structure of 1293285-04-7

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Description

This fluorinated benzoic acid integrates a pyrimidin-2-yl moiety to enhance target engagement in kinase inhibition studies. The electron-deficient pyrimidine ring pairs with the ortho-fluoro substituent to modulate reactivity and solubility under standard conditions.

Application

3-Fluoro-2-(pyrimidin-2-yl)benzoic acid serves as a versatile building block in medicinal chemistry, enabling the construction of bioactive heterocycles and API scaffolds. Its ortho-fluorinated aryl core enhances metabolic stability and modulates electronic properties, while the carboxylic acid functionality facilitates direct coupling reactions or derivatization. The pyrimidin-2-yl group provides a robust hydrogen-bonding acceptor site and contributes to favorable pharmacophore geometry. This compound exhibits excellent bench stability and is compatible with standard synthetic workflows, including amide formation, Suzuki-Miyaura coupling, and esterification.

General Information

  • CAS No. 1293285-04-7
  • Cat. No. CS-0433595
  • Purity ≥95%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₇FN₂O₂
  • Molecular Weight 218.18
  • Synonym(s) 3-Fluoro-2-(2-pyrimidinyl)benzoic acid
  • SMILES O=C(C1=C(C2=NC=CC=N2)C(F)=CC=C1)O

Computational Chemistry Data

  • TPSA   63.08
  • LogP   1.9809
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

Safety Information

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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-P363-P501

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