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CS-W001157 4
Total: USD 88.00

4-Bromo-5-chloro-2-fluorobenzonitrile

  • CAS No. 1349716-15-9

  • Cat. No. CS-0334377
  • Purity≥96%
  • MDL No.None

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

4-Bromo-5-chloro-2-fluorobenzonitrile|CS-0334377

Structure of 1349716-15-9

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General Information

  • CAS No. 1349716-15-9
  • Cat. No. CS-0334377
  • Purity ≥96%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₂BrClFN
  • Molecular Weight 234.45
  • Synonym(s) None
  • SMILES C1=C(C#N)C(=CC(=C1Cl)Br)F

Description

4-Bromo-5-chloro-2-fluorobenzonitrile features a trifunctional aromatic core with strategically positioned halogens and a nitrile group. This electron-deficient scaffold enables direct coupling in cross-coupling reactions, serving as a key building block for pharmaceutical intermediates and functional materials. The combination of bromo, chloro, and fluoro substituents provides orthogonal reactivity and enhanced metabolic stability.

Application

4-Bromo-5-chloro-2-fluorobenzonitrile serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling efficient construction of substituted heterocycles via palladium-catalyzed cross-coupling reactions. Its orthogonal halogen reactivity profile supports sequential functionalization, while the nitrile group provides a handle for downstream transformations. The compound exhibits excellent bench stability and facilitates straightforward purification, making it well-suited for multi-step synthetic sequences in industrial R&D workflows.

Safety Information

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GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H311-H331
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361+P364-P405-P501

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Computational Chemistry Data

  • TPSA   23.79
  • LogP   3.11328
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   0

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