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CS-W001157 4
Total: USD 88.00

3-Bromo-2,6-difluorobenzonitrile

  • CAS No. 1250444-23-5

  • Cat. No. CS-0087931
  • Purity≥98%
  • MDL No.MFCD16987589

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

3-Bromo-2,6-difluorobenzonitrile|CS-0087931

Structure of 1250444-23-5

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General Information

  • CAS No. 1250444-23-5
  • Cat. No. CS-0087931
  • Purity ≥98%
  • MDL No. MFCD16987589
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₂BrF₂N
  • Molecular Weight 218.00
  • Synonym(s) None
  • SMILES N#CC1=C(F)C=CC(Br)=C1F

Description

3-Bromo-2,6-difluorobenzonitrile features a trifunctional aromatic core with bromine, two fluorine atoms, and a nitrile group positioned for orthogonal reactivity. This electron-deficient scaffold enables seamless integration into cross-coupling and nucleophilic substitution workflows. The molecule exhibits enhanced stability under standard conditions and facilitates rapid diversification in medicinal chemistry and materials synthesis.

Application

3-Bromo-2,6-difluorobenzonitrile serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling palladium-catalyzed cross-coupling reactions due to its compatible halogen and nitrile functionalities. The ortho-fluorine substituents enhance metabolic stability and modulate electronic properties, while the bromine facilitates selective functionalization. Its bench-stable nature and ease of purification support reliable integration into multi-step synthetic sequences.

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   2.59898
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   0

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