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Home > Encyclopedia > 1,3-Dimethyl-1H-benzo[d]imidazol-3-ium iodide

1,3-Dimethyl-1H-benzo[d]imidazol-3-ium iodide

1,3-Dimethyl-1H-benzo[d]imidazol-3-ium iodide structure

1,3-Dimethyl-1H-benzo[d]imidazol-3-ium iodide 

structure
  • CAS No:

    7181-87-5

  • Formula:

    C9H11IN2

  • Chemical Name:

    1,3-Dimethyl-1H-benzo[d]imidazol-3-ium iodide

  • Synonyms:

    1,3-Dimethyl-1H-benzo[d]imidazol-3-ium iodide;1,3-Dimethyl-1H-benzimidazol-3-ium iodide;1,3-Dimethyl-1H-benzimidazolium iodide;N,N'-Dimethylbenzimidazolium iodide;1,3-Dimethylbenzimidazolium iodide

1,3-Dimethyl-1H-benzo[d]imidazol-3-ium iodide Basic Attributes

274

273.997

27984

DTXSID30473829

Characteristics

8.8

-1.99320

137-142°C

Safety Information

2

1,3-Dimethyl-1H-benzo[d]imidazol-3-ium iodide Use and Manufacturing

Into a 25 ml Schlenk tube was layered 1H-benzo[d]imidazole (1g, 8.5 mmol), K2CO3 (1.18g, 8.5mmol), MeI (2.1 mL, 33mmol), CH3CN (15 mL), sealed and evacuated and refilled with nitrogen atmosphere. The mixture was stirred and heated under pre-heated 83 °C oil-bath for 18 hours. after finished, the reaction solution was quickly filtrated (white product could instant), the filtrate was cooled in ice-cool water, and white crystal was formed, collected the crystal through filtrated, washed with PE, dried under reduce pressure, afforded the desired NHC Precursor J (1.3 g, 56percent).

Computed Properties

Molecular Weight:274.10
Hydrogen Bond Acceptor Count:1
Exact Mass:273.99670
Monoisotopic Mass:273.99670
Topological Polar Surface Area:8.8
Heavy Atom Count:12
Complexity:131
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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