2-Difluoromethyl-1H-benzoimidazole Chemical Properties

Melting point:

155.0 to 159.0 °C

Boiling point:

57-62 °C(Press: 5 Torr)

Density 

1.366±0.06 g/cm3(Predicted)

storage temp. 

Sealed in dry,Room Temperature

solubility 

soluble in Methanol

form 

powder to crystal

pka

10.43±0.10(Predicted)

color 

White to Light yellow to Light orange

λmax

276nm(EtOH)(lit.)

InChI

InChI=1S/C8H6F2N2/c9-7(10)8-11-5-3-1-2-4-6(5)12-8/h1-4,7H,(H,11,12)

InChIKey

PURNIHSRWGYONZ-UHFFFAOYSA-N

SMILES

C1(C(F)F)NC2=CC=CC=C2N=1

Safety Information

Hazard Codes 

Xi

HazardClass 

IRRITANT

HS Code 

2933998090

2-Difluoromethyl-1H-benzoimidazole Usage And Synthesis

Synthesis

In a screw cap vial, o-phenylenediamine (1 mmol) was dissolved in difluoroacetic acid (2 mL, 0.5 M) and the reaction mixture was stirred at 70 °C for 16 hours. After completion of the reaction, the difluoroacetic acid was removed by evaporation under reduced pressure and the crude product was purified by silica gel column chromatography to afford 2-(difluoromethyl)-1H-benzo[d]imidazole.

References

[1] Tetrahedron Letters, 2013, vol. 54, # 3, p. 201 - 204
[2] Patent: US2007/244110, 2007, A1. Location in patent: Page/Page column 4
[3] ACS Medicinal Chemistry Letters, 2013, vol. 4, # 2, p. 206 - 210
[4] Tetrahedron Letters, 2007, vol. 48, # 18, p. 3251 - 3254
[5] Patent: WO2013/123634, 2013, A1. Location in patent: Paragraph 0027

2-Difluoromethyl-1H-benzoimidazole(705-09-9)Related Product Information

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• ZERENEX E/6010068
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