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CS-W001157 4
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2,3-Diamino-6-chlorobenzonitrile

  • CAS No. 548457-80-3

  • Cat. No. CS-0098645
  • Purity≥97%
  • MDL No.MFCD20723943

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

2,3-Diamino-6-chlorobenzonitrile|CS-0098645

Structure of 548457-80-3

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General Information

  • CAS No. 548457-80-3
  • Cat. No. CS-0098645
  • Purity ≥97%
  • MDL No. MFCD20723943
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₆ClN₃
  • Molecular Weight 167.60
  • Synonym(s) None
  • SMILES N#CC1=C(C=CC(N)=C1N)Cl

Description

2,3-Diamino-6-chlorobenzonitrile features a chlorinated aromatic core bearing two primary amine groups and a nitrile functionality. This electron-deficient scaffold enables direct incorporation into heterocyclic systems, serving as a key intermediate in the synthesis of functionalized pharmaceuticals and advanced materials.

Application

2,3-Diamino-6-chlorobenzonitrile serves as a versatile building block in medicinal chemistry, enabling the construction of heterocyclic scaffolds through straightforward cyclization reactions. Its ortho-diamine functionality facilitates metal-catalyzed coupling and transition-metal-mediated ring formations, while the nitrile and chloro groups offer complementary reactivity for further functionalization. The compound exhibits good bench stability and is readily purified by recrystallization, supporting its use in multi-step synthesis and API intermediate development.

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   75.83
  • LogP   1.37608
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   0

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