Cas no 2338-24-1 (1H-Benzimidazole,5,6-dinitro-2-(trifluoromethyl)-)

1H-Benzimidazole,5,6-dinitro-2-(trifluoromethyl)- structure
2338-24-1 structure
Product Name:1H-Benzimidazole,5,6-dinitro-2-(trifluoromethyl)-
CAS No:2338-24-1
MF:C8H3F3N4O4
MW:276.129031419754
CID:261775
PubChem ID:16858
Update Time:2025-04-19

1H-Benzimidazole,5,6-dinitro-2-(trifluoromethyl)- Chemical and Physical Properties

Names and Identifiers

    • 1H-Benzimidazole,5,6-dinitro-2-(trifluoromethyl)-
    • 5,6-dinitro-2-(trifluoromethyl)-1H-benzimidazole
    • CHEMBL226920
    • BRN 0625375
    • 5-23-06-00374 (Beilstein Handbook Reference)
    • DTXSID50177933
    • OOJCWFWANPATNU-UHFFFAOYSA-N
    • BENZIMIDAZOLE, 5,6-DINITRO-2-(TRIFLUOROMETHYL)-
    • 5,6-Dinitro-2-(trifluoromethyl)benzimidazole
    • 2338-24-1
    • Inchi: 1S/C8H3F3N4O4/c9-8(10,11)7-12-3-1-5(14(16)17)6(15(18)19)2-4(3)13-7/h1-2H,(H,12,13)
    • InChI Key: OOJCWFWANPATNU-UHFFFAOYSA-N
    • SMILES: FC(C1=NC2C=C(C(=CC=2N1)[N+](=O)[O-])[N+](=O)[O-])(F)F

Computed Properties

  • Exact Mass: 276.01069
  • Monoisotopic Mass: 276.010639
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 0
  • Complexity: 393
  • 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: 2.4
  • Topological Polar Surface Area: 120

Experimental Properties

  • Density: 1.813
  • Boiling Point: 472.9°Cat760mmHg
  • Flash Point: 239.8°C
  • Refractive Index: 1.637
  • PSA: 114.96

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