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CS-W001157 4
Total: USD 88.00

4,6-Dichloropyrimidine-5-carbonitrile

  • CAS No. 5305-45-3

  • Cat. No. CS-D1611
  • Purity≥95%
  • MDL No.MFCD08460393

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

4,6-Dichloropyrimidine-5-carbonitrile|CS-D1611

Structure of 5305-45-3

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General Information

  • CAS No. 5305-45-3
  • Cat. No. CS-D1611
  • Purity ≥95%
  • MDL No. MFCD08460393
  • Storage -20°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅HCl₂N₃
  • Molecular Weight 173.99
  • Synonym(s) 4,6-Dichloro-5-cyanopyrimidine; 4,6-Dichloropyrimidine-5-carbonitrile; 5-Pyrimidinecarbonitrile, 4,6-dichloro-
  • SMILES N#CC1=C(Cl)N=CN=C1Cl

Description

4,6-Dichloropyrimidine-5-carbonitrile features a highly reactive pyrimidine core with dual chlorine sites and a nitrile group, enabling selective functionalization in medicinal chemistry. This electron-deficient heterocycle integrates readily into complex scaffolds under mild conditions, offering efficient access to bioactive molecules through cross-coupling and nucleophilic substitution reactions.

Application

4,6-Dichloropyrimidine-5-carbonitrile serves as a versatile building block in medicinal chemistry and agrochemical synthesis. Its dual chloro groups enable selective nucleophilic substitution, while the nitrile moiety provides a handle for downstream transformations. The compound exhibits good bench stability and facilitates efficient construction of pyrimidine-based scaffolds via coupling reactions, making it valuable for developing functionalized heterocycles in high-throughput screening campaigns.

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-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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Computational Chemistry Data

  • TPSA   49.57
  • LogP   1.65508
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   0

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