2-Amino-5-trifluoromethylbenzonitrile

2-Amino-5-trifluoromethylbenzonitrile Property

Melting point:

72-74 °C(Solv: benzene (71-43-2))

Boiling point:

95-115 C

Density 

1.37±0.1 g/cm3(Predicted)

storage temp. 

Keep in dark place,Sealed in dry,Room Temperature

pka

-0.02±0.10(Predicted)

form 

crystalline powder

color 

Faint lemon

Safety

Hazard Codes 

T

HS Code 

2926907090

Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H302Harmful if swallowed

Precautionary statements

P280Wear protective gloves/protective clothing/eye protection/face protection.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

2-Amino-5-trifluoromethylbenzonitrile Chemical Properties,Usage,Production

Synthesis

A reaction was carried out with cuprous cyanide (2.24 g, 25.00 mmol) and 2-bromo-4-(trifluoromethyl)aniline (5.0 g, 20.83 mmol) in N-methyl-2-pyrrolidone (20 mL) heated at 195 °C for 4 hours. After completion of the reaction, the reaction mixture was diluted with ethyl acetate (100 mL) and washed twice with 28% aqueous ammonium hydroxide solution, twice with saturated aqueous sodium chloride solution (brine), and twice with water, in that order. The organic layer was separated, dried over anhydrous sodium sulfate and concentrated under reduced pressure to remove the solvent. The resulting residue was purified by fast chromatography using hexane as the starting eluent and gradually increasing the proportion of ethyl acetate to a gradient elution of 30% hexane-70% ethyl acetate, resulting in 2-amino-5-trifluoromethylbenzonitrile (1.821 g, 9.78 mmol, 47% yield) as a green amorphous solid. Mass spectrum (m/e): 187 (M + 1).

References

[1] Patent: WO2004/14895, 2004, A1. Location in patent: Page 68