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CS-W001157 4
Total: USD 88.00

2-(Difluoromethyl)-1-fluoro-4-nitrobenzene

  • CAS No. 63878-71-7

  • Cat. No. CS-0377809
  • Purity≥97%
  • MDL No.None

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

2-(Difluoromethyl)-1-fluoro-4-nitrobenzene|CS-0377809

Structure of 63878-71-7

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General Information

  • CAS No. 63878-71-7
  • Cat. No. CS-0377809
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₄F₃NO₂
  • Molecular Weight 191.11
  • Synonym(s) None
  • SMILES [O-][N+](C1=CC=C(C(C(F)F)=C1)F)=O

Description

2-(Difluoromethyl)-1-fluoro-4-nitrobenzene features a strategically positioned difluoromethyl group and electron-deficient aryl framework, enabling direct incorporation into fluorinated heterocycles. This bench-stable reagent facilitates efficient C–F bond formation in late-stage functionalization workflows.

Application

2-(Difluoromethyl)-1-fluoro-4-nitrobenzene serves as a versatile fluorinated aryl building block for medicinal chemistry and agrochemical synthesis. Its orthogonal reactivity enables selective nucleophilic aromatic substitution at the fluorine site, while the difluoromethyl group offers enhanced metabolic stability and modulated lipophilicity. The nitro group provides a handle for subsequent reduction or cyclization, facilitating access to complex heterocyclic scaffolds. Bench-stable and compatible with standard purification methods, it functions effectively in multi-step synthetic sequences.

Safety Information

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GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 1760
Class : 8
Packing Group : Ⅲ
Hazard Statements : H302-H318
Precautionary Statements : P264-P270-P280-P330-P501

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Computational Chemistry Data

  • TPSA   43.14
  • LogP   2.6715
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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