| Identification | Back Directory | [Name]
2-Difluoromethyl-1H-benzoimidazole | [CAS]
705-09-9 | [Synonyms]
EOS-60796
2-(Difluoromethyl)
2-Difluoromethylbenzimidazole
2-Difluoromethyl-1H-benzoimidazole
2-(Difluoromethyl)-1H-benzimidazole
1H-Benzimidazole, 2-(difluoromethyl)-
2-(difluoroMethyl)-1H-1,3-benzodiazole
1H-benzo[d]imidazole, 2-(difluoromethyl)-
1H-Benzimidazole,2-(difluoromethyl)-(9CI)
2-(difluoromethyl)-1H-benzimidazole(SALTDATA: FREE) | [Molecular Formula]
C8H6F2N2 | [MDL Number]
MFCD00463015 | [MOL File]
705-09-9.mol | [Molecular Weight]
168.14 |
| Chemical Properties | Back Directory | [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 |
| Hazard Information | Back Directory | [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 |
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