Cas no 1774898-10-0 (3-Bromo-4-fluoro-5-nitrotoluene)

3-Bromo-4-fluoro-5-nitrotoluene is a halogenated aromatic compound featuring bromo, fluoro, and nitro functional groups on a toluene backbone. This structure imparts unique reactivity, making it a valuable intermediate in organic synthesis, particularly for pharmaceutical and agrochemical applications. The presence of multiple electron-withdrawing groups enhances its utility in nucleophilic substitution and coupling reactions. Its well-defined molecular framework allows for precise modifications, facilitating the development of complex molecules. The compound is characterized by high purity and stability under standard conditions, ensuring consistent performance in synthetic workflows. Its versatility and functional group compatibility make it a preferred choice for researchers in fine chemical and material science industries.
3-Bromo-4-fluoro-5-nitrotoluene structure
1774898-10-0 structure
Product Name:3-Bromo-4-fluoro-5-nitrotoluene
CAS No:1774898-10-0
MF:C7H5BrFNO2
MW:234.0225045681
MDL:MFCD26792617
CID:4613231
Update Time:2025-06-07

3-Bromo-4-fluoro-5-nitrotoluene Chemical and Physical Properties

Names and Identifiers

    • 3-Bromo-4-fluoro-5-nitrotoluene
    • 1-BROMO-2-FLUORO-5-METHYL-3-NITROBENZENE
    • MDL: MFCD26792617
    • Inchi: 1S/C7H5BrFNO2/c1-4-2-5(8)7(9)6(3-4)10(11)12/h2-3H,1H3
    • InChI Key: USAGAMCWHPIZIS-UHFFFAOYSA-N
    • SMILES: BrC1C(=C(C=C(C)C=1)[N+](=O)[O-])F

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 185
  • XLogP3: 2.9
  • Topological Polar Surface Area: 45.8

3-Bromo-4-fluoro-5-nitrotoluene Pricemore >>

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