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CS-W001157 4
Total: USD 88.00

1-Bromo-2,4-difluoro-3-nitrobenzene

  • CAS No. 1420800-30-1

  • Cat. No. CS-0088934
  • Purity≥97%
  • MDL No.None

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

1-Bromo-2,4-difluoro-3-nitrobenzene|CS-0088934

Structure of 1420800-30-1

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General Information

  • CAS No. 1420800-30-1
  • Cat. No. CS-0088934
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₂BrF₂NO₂
  • Molecular Weight 237.99
  • Synonym(s) None
  • SMILES O=[N+](C1=C(F)C(Br)=CC=C1F)[O-]

Description

1-Bromo-2,4-difluoro-3-nitrobenzene features a trifunctional aromatic core with orthogonal reactivity, enabling selective coupling in late-stage diversification. The electron-deficient ring facilitates nucleophilic substitution, while the bromo and fluoro handles support palladium-catalyzed cross-coupling. This compound exhibits bench-stable handling characteristics under standard conditions.

Application

1-Bromo-2,4-difluoro-3-nitrobenzene serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling palladium-catalyzed cross-coupling reactions due to its orthogonal reactivity profile. The bromine center facilitates C–C bond formation under standard Suzuki, Stille, or Negishi conditions, while the difluoro substitution enhances metabolic stability and modulates electronic properties. Its nitro group provides a handle for subsequent reduction and functionalization. The compound exhibits excellent bench stability and is readily purified by flash chromatography, making it well-suited for scalable synthetic workflows.

Safety Information

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GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2810
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H311-H331
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361-P405-P501

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Computational Chemistry Data

  • TPSA   43.14
  • LogP   2.6355
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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