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CS-W001157 4
Total: USD 88.00

4,6-Dichloro-2-(trifluoromethyl)pyrimidine

  • CAS No. 705-24-8

  • Cat. No. CS-W003513
  • Purity≥97%
  • MDL No.MFCD08436597

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

4,6-Dichloro-2-(trifluoromethyl)pyrimidine|CS-W003513

Structure of 705-24-8

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General Information

  • CAS No. 705-24-8
  • Cat. No. CS-W003513
  • Purity ≥97%
  • MDL No. MFCD08436597
  • Storage -20°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅HCl₂F₃N₂
  • Molecular Weight 216.98
  • Synonym(s) 4,6-Dichloro-2-Trifluoromethylpyrimidine
  • SMILES FC(c1nc(Cl)cc(n1)Cl)(F)F

Description

4,6-Dichloro-2-(trifluoromethyl)pyrimidine is a bench-stable heterocyclic building block featuring two chlorine substituents at electron-deficient positions and a strongly electron-withdrawing trifluoromethyl group. This combination enables selective nucleophilic substitution reactions, facilitating the rapid assembly of complex pyrimidine derivatives in medicinal chemistry and agrochemical synthesis.

Application

4,6-Dichloro-2-(trifluoromethyl)pyrimidine serves as a versatile building block in medicinal chemistry, enabling efficient construction of bioactive heterocycles. Its orthogonal reactivity allows selective functionalization at C4 and C6 positions, while the trifluoromethyl group enhances metabolic stability and lipophilicity. The compound exhibits excellent bench stability and facilitates straightforward purification, making it well-suited for scalable synthesis and API development workflows.

Synthesis

  • Route1

    References

    • US4963678 A1, ;

Safety Information

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GHS Pictogram :
GHS No : GHS05,GHS06
Signal Word : Danger
UN#: 2922
Class : 8 (6.1)
Packing Group : Ⅱ
Hazard Statements : H301-H314
Precautionary Statements : P264-P270-P280-P301+P330+P331-P304+P340-P363-P405-P501

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Computational Chemistry Data

  • TPSA   25.78
  • LogP   2.8022
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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