Cas no 917391-24-3 (BENZENE, 2-BROMO-5-FLUORO-1-NITRO-3-(TRIFLUOROMETHYL)-)

2-Bromo-5-fluoro-1-nitro-3-(trifluoromethyl)benzene is a halogenated nitroaromatic compound featuring bromo, fluoro, nitro, and trifluoromethyl functional groups. Its highly substituted benzene ring structure makes it a valuable intermediate in organic synthesis, particularly for pharmaceuticals, agrochemicals, and specialty materials. The presence of multiple electron-withdrawing groups enhances its reactivity in nucleophilic aromatic substitution and cross-coupling reactions. The trifluoromethyl group contributes to increased lipophilicity, which can improve bioavailability in drug design. This compound is particularly useful in constructing complex molecules requiring precise regiochemical control. Proper handling is essential due to potential hazards associated with halogenated and nitroaromatic compounds. Its stability under controlled conditions ensures reliable performance in synthetic applications.
BENZENE, 2-BROMO-5-FLUORO-1-NITRO-3-(TRIFLUOROMETHYL)- structure
917391-24-3 structure
Product Name:BENZENE, 2-BROMO-5-FLUORO-1-NITRO-3-(TRIFLUOROMETHYL)-
CAS No:917391-24-3
MF:C7H2BrF4NO2
MW:287.993895053864
CID:3370679
PubChem ID:12002893
Update Time:2025-06-07

BENZENE, 2-BROMO-5-FLUORO-1-NITRO-3-(TRIFLUOROMETHYL)- Chemical and Physical Properties

Names and Identifiers

    • BENZENE, 2-BROMO-5-FLUORO-1-NITRO-3-(TRIFLUOROMETHYL)-
    • BABOYRMVACTQGM-UHFFFAOYSA-N
    • SCHEMBL1505922
    • 2-Bromo-5-fluoro-1-nitro-3-trifluoromethyl-benzene
    • 917391-24-3
    • 2-bromo-5-fluoro-1-nitro-3-(trifluoromethyl)benzene
    • PZGKMNCCSGLNFE-UHFFFAOYSA-N
    • Inchi： 1S/C7H2BrF4NO2/c8-6-4(7(10,11)12)1-3(9)2-5(6)13(14)15/h1-2H
    • InChI Key： BABOYRMVACTQGM-UHFFFAOYSA-N
    • SMILES： BrC1C(=CC(=CC=1C(F)(F)F)F)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 286.92050Da
  • Monoisotopic Mass: 286.92050Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 0
  • Complexity: 254
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.4
  • Topological Polar Surface Area: 45.8?2

BENZENE, 2-BROMO-5-FLUORO-1-NITRO-3-(TRIFLUOROMETHYL)- Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
1679661-250mg
2-Bromo-5-fluoro-1-nitro-3-(trifluoromethyl)benzene
 917391-24-3 98%
250mg
 ￥34506.00 2024-04-25

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