Cas no 874814-18-3 (4,6-Difluoro-2-methyl-1H-benzodimidazole)

4,6-Difluoro-2-methyl-1H-benzimidazole is a fluorinated benzimidazole derivative characterized by its unique structural properties, making it a valuable intermediate in pharmaceutical and agrochemical synthesis. The presence of fluorine atoms at the 4 and 6 positions enhances its electron-withdrawing effects, improving reactivity in nucleophilic substitution reactions. The methyl group at the 2-position contributes to steric stability, while the benzimidazole core offers versatility in heterocyclic chemistry. This compound is particularly useful in the development of bioactive molecules, including kinase inhibitors and antimicrobial agents, due to its ability to modulate electronic and steric interactions. Its high purity and well-defined structure ensure consistent performance in research and industrial applications.
4,6-Difluoro-2-methyl-1H-benzodimidazole structure
874814-18-3 structure
Product Name:4,6-Difluoro-2-methyl-1H-benzodimidazole
CAS No:874814-18-3
MF:C8H6F2N2
MW:168.143448352814
MDL:MFCD09859884
CID:1024669
PubChem ID:53216867
Update Time:2025-10-14

4,6-Difluoro-2-methyl-1H-benzodimidazole Chemical and Physical Properties

Names and Identifiers

    • 4,6-Difluoro-2-methyl-1H-benzo[d]imidazole
    • MFCD09859884
    • AKOS017405247
    • A862569
    • ABQYTBKFUCHTOG-UHFFFAOYSA-N
    • 5,7-difluoro-2-methyl-1H-benzo[d]imidazole
    • BS-23196
    • 4,6-DIFLUORO-2-METHYL-1H-1,3-BENZODIAZOLE
    • CS-0211499
    • AKOS006343046
    • SCHEMBL8265513
    • DTXSID40681998
    • 874814-18-3
    • 4,6-difluoro-2-methyl-1H-benzimidazole
    • 4,6-Difluoro-2-methyl-1H-benzodimidazole
    • MDL： MFCD09859884
    • Inchi： 1S/C8H6F2N2/c1-4-11-7-3-5(9)2-6(10)8(7)12-4/h2-3H,1H3,(H,11,12)
    • InChI Key： ABQYTBKFUCHTOG-UHFFFAOYSA-N
    • SMILES： FC1=CC(=CC2=C1N=C(C)N2)F

Computed Properties

  • Exact Mass: 168.04990452g/mol
  • Monoisotopic Mass: 168.04990452g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 176
  • 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: 2.1
  • Topological Polar Surface Area: 28.7?2

Experimental Properties

  • Density: 1.4±0.1 g/cm3
  • Melting Point: NA
  • Boiling Point: 337.2±22.0 °C at 760 mmHg
  • Flash Point: 157.7±22.3 °C
  • Vapor Pressure: 0.0±0.7 mmHg at 25°C

4,6-Difluoro-2-methyl-1H-benzodimidazole Security Information

4,6-Difluoro-2-methyl-1H-benzodimidazole Pricemore >>

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