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3-Amino-2-bromobenzonitrile

  • CAS No. 1166988-09-5

  • Cat. No. CS-0042782
  • Purity≥98%
  • MDL No.MFCD13185832

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

3-Amino-2-bromobenzonitrile|CS-0042782

Structure of 1166988-09-5

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General Information

  • CAS No. 1166988-09-5
  • Cat. No. CS-0042782
  • Purity ≥98%
  • MDL No. MFCD13185832
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₅BrN₂
  • Molecular Weight 197.03
  • Synonym(s) None
  • SMILES N#CC1=CC=CC(N)=C1Br

Description

3-Amino-2-bromobenzonitrile features a bromine atom at the ortho position relative to the nitrile group, enabling direct functionalization in cross-coupling reactions. The amino substituent enhances electron density and facilitates downstream derivatization. This bench-stable compound integrates readily into pharmaceutical intermediates and advanced materials.

Application

3-Amino-2-bromobenzonitrile serves as a versatile building block in medicinal chemistry, enabling palladium-catalyzed cross-coupling reactions due to its orthogonal functional groups. The amino and bromo substituents allow sequential derivatization, while the nitrile group offers stability and potential for downstream transformations. Its bench-stable nature and compatibility with standard synthetic protocols make it well-suited for constructing complex heterocyclic scaffolds and API intermediates.

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   49.81
  • LogP   1.90298
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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