5-BROMO-2-CYANOBENZENEACETONITRILE

4-Bromo-2-(cyanomethyl)benzonitrile. Sodium hydride (47.2 g, 1.18 mol) was suspended in 320 mL DMSO and cooled to 0°C in an ice-water bath. The mixture became viscous as the DMSO began to freeze. Methyl cyanoacetate (104 mL, 1.18 mol) was added slowly causing a slight temperature increase and thus a more easily stirrable solution. The mixture was stirred for 30 minutes at room temperature. 4- Bromo-2-fluorobenzonitrile (118 g, 590 mmol)(commercially available from Acros Organics (Order Number 29049)) was added via cannula as a solution in 500 mL DMSO. [00341] 4-Bromo-2-(cyanomethyl)benzonitrile: Sodium hydride (47.2 g, 1.18 mol) was suspended in 320 mL DMSO and cooled to O4-Bromo-2-(cyanomethyl)benzonitrile: NaH (47.2 g, 1.18 mol, Aldrich) was suspended in DMSO (320 mL) and cooled to O

Molecular Weight:221.05
XLogP3:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:219.96361
Monoisotopic Mass:219.96361
Topological Polar Surface Area:47.6
Heavy Atom Count:12
Complexity:244
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes