5-FLUORO-2-NITROBENZONITRILE Chemical Properties

Melting point:

84-88°C

Boiling point:

302.9±27.0 °C(Predicted)

Density 

1.41±0.1 g/cm3(Predicted)

storage temp. 

Sealed in dry,Room Temperature

form 

Powder

Appearance

White to yellow Solid

CAS DataBase Reference

50594-78-0(CAS DataBase Reference)

Safety Information

Hazard Codes 

Xi

Risk Statements 

20/21/22

Safety Statements 

26-36/37/39

RIDADR 

3439

Hazard Note 

Irritant/Keep Cold

HazardClass 

6.1

PackingGroup 

Ⅲ

HS Code 

2926907090

5-FLUORO-2-NITROBENZONITRILE Usage And Synthesis

Synthesis

The general procedure for the synthesis of 2-nitro-5-fluorobenzonitrile from 5-fluoro-2-nitrobenzamide was as follows: dry DMF (70 mL) was cooled to -10 °C and thionyl chloride (6 mL, 82 mmol) was added slowly and dropwise over 10 min. Subsequently, 5-fluoro-2-nitrobenzoic acid (15.04 g, 82 mmol) was added in batches over 1 hour. After the reaction mixture was gradually warmed to room temperature, it was poured into water (200 mL). The precipitate formed was collected by filtration, washed with water and dried to afford the target product 2-nitro-5-fluorobenzonitrile as a colorless solid (10.7 g, 79% yield). The structure of the product was confirmed by 1H NMR (CDCl3): δ 8.41 (1H, m), 7.62 (1H, m), 7.52 (1H, m).

References

[1] Patent: WO2006/129120, 2006, A2. Location in patent: Page/Page column 78
[2] Patent: US2010/280268, 2010, A1. Location in patent: Page/Page column 46

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