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CS-W001157 4
Total: USD 88.00

2-(5-Bromo-2-chlorophenyl)acetonitrile

  • CAS No. 1057216-52-0

  • Cat. No. CS-0141007
  • Purity≥98%
  • MDL No.MFCD18390591

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

2-(5-Bromo-2-chlorophenyl)acetonitrile|CS-0141007

Structure of 1057216-52-0

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General Information

  • CAS No. 1057216-52-0
  • Cat. No. CS-0141007
  • Purity ≥98%
  • MDL No. MFCD18390591
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅BrClN
  • Molecular Weight 230.49
  • Synonym(s) 5-bromo-2-chlorophenylacetonitrile
  • SMILES N#CCC1=CC(Br)=CC=C1Cl

Description

2-(5-Bromo-2-chlorophenyl)acetonitrile features a bromo-chloro-substituted aryl core paired with a nitrile-bearing side chain, enabling direct integration into heterocyclic scaffolds. The electron-deficient aromatic ring enhances reactivity in cross-coupling processes, while the acetonitrile group serves as a versatile handle for further functionalization under mild conditions.

Application

2-(5-Bromo-2-chlorophenyl)acetonitrile serves as a versatile building block for the synthesis of biologically active heterocycles and pharmaceutical intermediates. Its aryl halide functionality enables palladium-catalyzed cross-coupling reactions, while the nitrile group offers compatibility with nucleophilic additions and transformations. The compound exhibits good bench stability and facilitates straightforward purification, making it well-suited for scalable medicinal chemistry campaigns.

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   3.16858
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   1

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