1194-02-1

white crystalline low melting solid

4-Fluorobenzonitrile is used in the synthesis of flurenones, pharmaceutical prerequisites, as well as opiod receptor antagonists.

The application of 4-Fluorobenzonitrile in medicinal chemistry has proven valuable, particularly in the design of novel drug candidates that target specific biological pathways. Additionally, 4-Fluorobenzonitrile is employed in the production of dyes and pigments, offering vibrant colors and improved performance in various formulations.

ChEBI: 4-Fluorobenzonitrile is a member of benzenes and a nitrile.

4-Fluorobenzonitrile is synthesised using 4-Fluorobenzyl alcohol as raw material by chemical reaction. The specific synthesis steps are as follows:
With respect to 2 mmol of each alcohol represented by the general formula (1), 4 ml of CH2Cl2 as a solvent, 0.05 equivalent of TEMPO as an N-nitrosyl compound, (A) t-BuOCl, (B) I 2 or (C ) N, N'-diiodo-5,5-dimethylhydantoin (DIH) were mixed in a predetermined amount and stirred for a predetermined time at room temperature.Next, 1.5 equivalents of I 2 and 4 ml of aqueous ammonia were added, and the mixture was stirred at room temperature for 2 hours.

The screening level is calculated assuming the mouse LD50 was 300 mg/kg and use of the equation from R232(1)(h), as follows. The initial threshold screening level (ITSL) for 4-Fiuorobenzonitrile is 0.5 μg/m3 annual averaging time.