Cas no 14689-58-8 (5-bromo-4-nitro-2-(trifluoromethyl)-1H-1,3-benzodiazole)

5-bromo-4-nitro-2-(trifluoromethyl)-1H-1,3-benzodiazole structure
14689-58-8 structure
Product Name:5-bromo-4-nitro-2-(trifluoromethyl)-1H-1,3-benzodiazole
CAS No:14689-58-8
MF:C8H3BrF3N3O2
MW:310.027530908585
MDL:MFCD01658371
CID:181771
PubChem ID:26821
Update Time:2025-04-19

5-bromo-4-nitro-2-(trifluoromethyl)-1H-1,3-benzodiazole Chemical and Physical Properties

Names and Identifiers

    • 1H-Benzimidazole,6-bromo-7-nitro-2-(trifluoromethyl)-
    • 5-bromo-4-nitro-2-(trifluoromethyl)-1H-benzimidazole
    • 5-bromo-4-nitro-2-(trifluoromethyl)-1H-1,3-benzodiazole
    • DTXSID70163535
    • YFYACJUPYYEJMJ-UHFFFAOYSA-N
    • BENZIMIDAZOLE, 5-BROMO-4-NITRO-2-(TRIFLUOROMETHYL)-
    • 6-Bromo-7-nitro-2-(trifluoromethyl)-1H-benzo[d]imidazole
    • 5-Bromo-4-nitro-2-(trifluoromethyl)benzimidazole
    • 14689-58-8
    • EN300-22848278
    • BRN 0927132
    • MDL: MFCD01658371
    • Inchi: 1S/C8H3BrF3N3O2/c9-3-1-2-4-5(6(3)15(16)17)14-7(13-4)8(10,11)12/h1-2H,(H,13,14)
    • InChI Key: YFYACJUPYYEJMJ-UHFFFAOYSA-N
    • SMILES: BrC1C=CC2=C(C=1[N+](=O)[O-])N=C(C(F)(F)F)N2

Computed Properties

  • Exact Mass: 307.92826
  • Monoisotopic Mass: 308.936074
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 0
  • Complexity: 322
  • 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
  • Topological Polar Surface Area: 74.5
  • XLogP3: 2.9

Experimental Properties

  • Density: 1.979
  • Boiling Point: 377.4°Cat760mmHg
  • Flash Point: 182.1°C
  • Refractive Index: 1.631
  • PSA: 68.92

5-bromo-4-nitro-2-(trifluoromethyl)-1H-1,3-benzodiazole Pricemore >>

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