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2-Amino-5-trifluoromethylbenzonitrile

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2-Amino-5-trifluoromethylbenzonitrile Basic information
Product Name:2-Amino-5-trifluoromethylbenzonitrile
Synonyms:2-Amino-5-trifluoromethylbenzonitrile;4-Amino-3-cyanobenzotrifluoride;Benzonitrile, 2-aMino-5-(trifluoroMethyl)-;4-Amino-3-cyanobenzotrifluoride, 2-Cyano-4-(trifluoromethyl)aniline;0/5/26
CAS:6526-08-5
MF:C8H5F3N2
MW:186.13
EINECS:
Product Categories:Fluorine series;Benzotrifluoride Series
Mol File:6526-08-5.mol
2-Amino-5-trifluoromethylbenzonitrile Structure
2-Amino-5-trifluoromethylbenzonitrile Chemical Properties
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 Information
Hazard Codes T
HS Code 2926907090
MSDS Information
2-Amino-5-trifluoromethylbenzonitrile Usage And Synthesis
Synthesis
Copper(I) Cyanide

544-92-3

2-Bromo-4-(trifluoromethyl)aniline

57946-63-1

2-Amino-5-trifluoromethylbenzonitrile

6526-08-5

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
2-Amino-5-trifluoromethylbenzonitrile Preparation Products And Raw materials
Raw materialsCopper(I) Cyanide-->2-Bromo-4-(trifluoromethyl)aniline
Tag:2-Amino-5-trifluoromethylbenzonitrile(6526-08-5) Related Product Information
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