Cas no 884494-38-6 (1-bromo-3,5-difluoro-2-nitro-benzene)

1-Bromo-3,5-difluoro-2-nitro-benzene is a halogenated nitroaromatic compound with the molecular formula C?H?BrF?NO?. This derivative of benzene features bromine, fluorine, and nitro functional groups, which enhance its reactivity in electrophilic and nucleophilic substitution reactions. The presence of electron-withdrawing groups (fluoro and nitro) at the meta and ortho positions makes it a valuable intermediate in organic synthesis, particularly for constructing complex aromatic frameworks. Its high purity and stability under standard conditions ensure reliable performance in pharmaceutical, agrochemical, and materials science applications. The compound’s distinct substitution pattern allows for selective further functionalization, making it a versatile building block in fine chemical synthesis.
1-bromo-3,5-difluoro-2-nitro-benzene structure
884494-38-6 structure
Product Name:1-bromo-3,5-difluoro-2-nitro-benzene
CAS No:884494-38-6
MF:C6H2BrF2NO2
MW:237.986387729645
MDL:MFCD04112501
CID:838712
PubChem ID:44754907
Update Time:2025-06-07

1-bromo-3,5-difluoro-2-nitro-benzene Chemical and Physical Properties

Names and Identifiers

    • 2-Bromo-4,6-difluoronitrobenzene
    • 1-bromo-3,5-difluoro-2-nitrobenzene
    • VF10053
    • SY024412
    • AB0027248
    • W9063
    • ST24027820
    • 1-bromo-3,5-difluoro-2-nitro-benzene
    • 1-Bromo-3,5-difluoro-2-nitrobenzene (ACI)
    • MDL: MFCD04112501
    • Inchi: 1S/C6H2BrF2NO2/c7-4-1-3(8)2-5(9)6(4)10(11)12/h1-2H
    • InChI Key: XIDAMEPMZLNCNG-UHFFFAOYSA-N
    • SMILES: [O-][N+](C1C(Br)=CC(F)=CC=1F)=O

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 187
  • Topological Polar Surface Area: 45.8

Experimental Properties

  • Melting Point: 51-53°C

1-bromo-3,5-difluoro-2-nitro-benzene Security Information

1-bromo-3,5-difluoro-2-nitro-benzene Pricemore >>

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Apollo Scientific
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1-bromo-3,5-difluoro-2-nitro-benzene Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Sulfuric acid ,  Nitric acid Solvents: Water ;  1 h, rt; 1 h, rt
Reference
Novel Dual-Targeting Benzimidazole Urea Inhibitors of DNA Gyrase and Topoisomerase IV Possessing Potent Antibacterial Activity: Intelligent Design and Evolution through the Judicious Use of Structure-Guided Design and Structure-Activity Relationships
Charifson, Paul S.; et al, Journal of Medicinal Chemistry, 2008, 51(17), 5243-5263

1-bromo-3,5-difluoro-2-nitro-benzene Raw materials

1-bromo-3,5-difluoro-2-nitro-benzene Preparation Products

1-bromo-3,5-difluoro-2-nitro-benzene Related Literature

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