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CS-W001157 4
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3-Bromo-2-chlorobenzonitrile

  • CAS No. 914250-82-1

  • Cat. No. CS-W019339
  • Purity≥97%
  • MDL No.MFCD09834776

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

3-Bromo-2-chlorobenzonitrile|CS-W019339

Structure of 914250-82-1

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General Information

  • CAS No. 914250-82-1
  • Cat. No. CS-W019339
  • Purity ≥97%
  • MDL No. MFCD09834776
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₃BrClN
  • Molecular Weight 216.46
  • Synonym(s) 2-Chloro-3-bromobenzonitrile
  • SMILES N#CC1=CC=CC(Br)=C1Cl

Description

3-Bromo-2-chlorobenzonitrile features a trifunctional aromatic core with bromo, chloro, and nitrile groups positioned for orthogonal reactivity. This electron-deficient scaffold enables selective coupling in cross-coupling protocols and serves as a key intermediate in pharmaceutical synthesis.

Application

3-Bromo-2-chlorobenzonitrile serves as a versatile building block in medicinal chemistry and materials science, enabling palladium-catalyzed cross-coupling reactions due to its complementary halogen reactivity. The nitrile group provides a handle for downstream functionalization, while the ortho-halogen substitution pattern facilitates selective transformations. Its bench-stable nature and compatibility with standard synthetic protocols make it well-suited for modular synthesis of complex heterocycles and bioactive scaffolds.

Synthesis

  • Route1

    References

    • Clayden, Jonathan; Fletcher, Stephen P.; Senior, James; Worrall, Christopher P. Tetrahedron Asymmetry, 2010 , vol. 21, # 11-12 p. 1355 - 1360

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   23.79
  • LogP   2.97418
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   0

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