2-CHLORO-5-FLUOROPHENYLACETONITRILE

2-(bromomethyl)-1-chloro-4-fluorobenzene (10.000 g, 44.749 mmol), potassium cyanide (8.739 g, 134.246 mmol) and tetrabutylammonium bromide (1.443 g, 4.475 mmol) was dissolved in a mixed solution of dichloromethane (60 mL)/water (60 mL) at room temperature and stirred at the same temperature for 4 hours. The reaction mixture was poured into water and extracted with dichloromethane. The organic layer was washed with a saturated sodium hydrogencarbonate aqueous solution, and water was removed with anhydrous magnesium sulfate, followed by filtration and concentration under reduced pressure. The concentrate was purified by column chromatography (SiO2, 120 g cartridge; ethyl acetate / hexane = 0percent to 20percent) and concentrated to give the title compound (7.120 g, 93.8percent) as a white solid.

Molecular Weight:169.58
XLogP3:2.3
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:169.0094550
Monoisotopic Mass:169.0094550
Topological Polar Surface Area:23.8
Heavy Atom Count:11
Complexity:174
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes