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CS-W001157 4
Total: USD 88.00

4-(Trifluoromethyl)pyrimidine-2-carbonitrile

  • CAS No. 1206459-86-0

  • Cat. No. CS-0102093
  • Purity≥97%
  • MDL No.MFCD26386355
  • 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.

4-(Trifluoromethyl)pyrimidine-2-carbonitrile|CS-0102093

Structure of 1206459-86-0

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Description

4-(Trifluoromethyl)pyrimidine-2-carbonitrile features a trifluoromethyl group and a nitrile moiety positioned ortho to each other on the pyrimidine ring, creating a highly electron-deficient heterocyclic scaffold. This configuration enhances its utility in coupling reactions and as a building block for bioactive molecules. The compound exhibits stability under standard bench conditions and compatibility with diverse synthetic transformations.

Application

4-(Trifluoromethyl)pyrimidine-2-carbonitrile serves as a versatile building block in medicinal chemistry, enabling efficient construction of heterocyclic scaffolds via cross-coupling and nucleophilic substitution reactions. Its dual electron-withdrawing groups—trifluoromethyl and nitrile—enhance reactivity while maintaining bench stability, facilitating functionalization at multiple sites. The molecule exhibits excellent compatibility with standard synthetic protocols, offering high yields and straightforward purification, making it ideal for rapid lead optimization and API intermediate synthesis.

General Information

  • CAS No. 1206459-86-0
  • Cat. No. CS-0102093
  • Purity ≥97%
  • MDL No. MFCD26386355
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₂F₃N₃
  • Molecular Weight 173.10
  • Synonym(s) 4-trifluoromethyl-pyrimidine-2-carbonitrile
  • SMILES N#CC1=NC=CC(C(F)(F)F)=N1

Computational Chemistry Data

  • TPSA   49.57
  • LogP   1.36708
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   0

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

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