Cas no 915923-27-2 (2-(2-chloroethyl)-6-fluoro-1H-benzimidazole)

2-(2-Chloroethyl)-6-fluoro-1H-benzimidazole is a fluorinated benzimidazole derivative characterized by its chloroethyl substituent, which enhances its reactivity in synthetic applications. The presence of both fluorine and chloroethyl groups makes it a versatile intermediate in medicinal chemistry, particularly for the development of bioactive molecules. Its benzimidazole core offers structural stability, while the electron-withdrawing fluorine atom can influence the compound's binding affinity and metabolic properties. This compound is particularly useful in the synthesis of heterocyclic compounds and potential pharmacophores, where its functional groups allow for further derivatization. Its purity and well-defined structure ensure reproducibility in research and industrial applications.
2-(2-chloroethyl)-6-fluoro-1H-benzimidazole structure
915923-27-2 structure
Product Name:2-(2-chloroethyl)-6-fluoro-1H-benzimidazole
CAS No:915923-27-2
MF:C9H8ClFN2
MW:198.624624252319
MDL:MFCD08691512
CID:1067177
PubChem ID:28063665
Update Time:2025-05-28

2-(2-chloroethyl)-6-fluoro-1H-benzimidazole Chemical and Physical Properties

Names and Identifiers

    • 2-(2-Chloroethyl)-6-fluoro-1H-benzo[d]imidazole
    • 2-(2-Chloroethyl)-6-fluoro-1H-benzimidazole
    • 2-(2-chloroethyl)-6-fluoro-1H-benzimidazole(SALTDATA: FREE)
    • AKOS012021683
    • BB 0260003
    • C9H8ClFN2
    • 915923-27-2
    • AKOS015850559
    • BS-38712
    • MFCD08691512
    • DTXSID20650844
    • 2-(2-Chloroethyl)-5-fluoro-1H-benzimidazole
    • 2-(2-chloroethyl)-5-fluoro-1H-1,3-benzodiazole
    • 2-(2-chloroethyl)-6-fluoro-1H-benzimidazole
    • MDL： MFCD08691512
    • Inchi： 1S/C9H8ClFN2/c10-4-3-9-12-7-2-1-6(11)5-8(7)13-9/h1-2,5H,3-4H2,(H,12,13)
    • InChI Key： XTIREQQKBRLBOI-UHFFFAOYSA-N
    • SMILES： ClCCC1=NC2C=CC(=CC=2N1)F

Computed Properties

  • Exact Mass: 198.0360041g/mol
  • Monoisotopic Mass: 198.0360041g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 179
  • 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: 2.9
  • Topological Polar Surface Area: 28.7?2

Experimental Properties

  • Density: 1.384
  • Boiling Point: 391.6°C at 760 mmHg
  • Flash Point: 190.7°C
  • Refractive Index: 1.629
  • Vapor Pressure: 0.0±0.9 mmHg at 25°C

2-(2-chloroethyl)-6-fluoro-1H-benzimidazole Security Information

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