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CS-W001157 4
Total: USD 88.00

2-Chloropyrimidine-4-carbonitrile

  • CAS No. 75833-38-4

  • Cat. No. CS-W019761
  • Purity≥98%
  • MDL No.MFCD00234989

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

2-Chloropyrimidine-4-carbonitrile|CS-W019761

Structure of 75833-38-4

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General Information

  • CAS No. 75833-38-4
  • Cat. No. CS-W019761
  • Purity ≥98%
  • MDL No. MFCD00234989
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₂ClN₃
  • Molecular Weight 139.54
  • Synonym(s) Pyrimidine-4-carbonitrile, 2-chloro-
  • SMILES N#CC1=NC(Cl)=NC=C1

Description

2-Chloropyrimidine-4-carbonitrile features a reactive chloro group at the 2-position and a strongly electron-withdrawing nitrile at the 4-position, enabling efficient coupling in nucleophilic substitution reactions. This dual functionality supports rapid diversification in heterocyclic synthesis, particularly in pharmaceutical and agrochemical development.

Application

2-Chloropyrimidine-4-carbonitrile serves as a versatile building block in medicinal chemistry, enabling efficient construction of pyrimidine-based scaffolds through nucleophilic substitution. Its dual functional groups—chlorine at C2 and nitrile at C4—offer orthogonal reactivity for sequential derivatization, with the nitrile group amenable to hydrolysis or reduction under standard conditions. The compound exhibits good bench stability and facilitates straightforward purification, making it well-suited for high-throughput synthesis and API intermediate development.

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-P305+P351+P338-P330-P362+P364-P403+P233-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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