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CS-W001157 4
Total: USD 88.00

4-Chloropyrimidine-5-carbonitrile

  • CAS No. 16357-68-9

  • Cat. No. CS-W006068
  • Purity≥98%
  • MDL No.MFCD00234003

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

4-Chloropyrimidine-5-carbonitrile|CS-W006068

Structure of 16357-68-9

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General Information

  • CAS No. 16357-68-9
  • Cat. No. CS-W006068
  • Purity ≥98%
  • MDL No. MFCD00234003
  • Storage -20°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₂ClN₃
  • Molecular Weight 139.54
  • Synonym(s) 5-Pyrimidinecarbonitrile, 4-chloro- (8CI,9CI)
  • SMILES ClC1=C(C=NC=N1)C#N

Description

4-Chloropyrimidine-5-carbonitrile features a dual functional handle: a chloro group at C4 and a nitrile at C5, enabling selective cross-coupling and nucleophilic substitution reactions. This electron-deficient pyrimidine scaffold integrates readily into pharmaceutical intermediates and advanced materials, offering high reactivity under mild conditions with excellent bench stability.

Application

4-Chloropyrimidine-5-carbonitrile serves as a versatile building block in medicinal chemistry, enabling efficient construction of pyrimidine-based scaffolds. Its dual functionalization sites—electrophilic chlorine and reactive nitrile—facilitate diverse coupling reactions, including nucleophilic substitution and cyclization protocols. The compound exhibits good bench stability and is compatible with standard purification methods, making it well-suited for modular synthesis workflows targeting heterocyclic APIs and kinase inhibitors.

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301+H311+H331
Precautionary Statements : P264-P270-P330-P405-P501

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Computational Chemistry Data

  • TPSA   49.57
  • LogP   1.00168
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   0

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