2,4-BIS(TRIFLUOROMETHYL)ANILINE Chemical Properties

Boiling point:

50°C 0,4mm

Density 

1.443±0.06 g/cm3(Predicted)

refractive index 

1.4372

Flash point:

50°C/0.4mm

storage temp. 

Keep in dark place,Inert atmosphere,Room temperature

form 

solid

pka

-0.37±0.10(Predicted)

Specific Gravity

1.44

Appearance

Colorless to light yellow Liquid

BRN 

3319910

InChI

InChI=1S/C8H5F6N/c9-7(10,11)4-1-2-6(15)5(3-4)8(12,13)14/h1-3H,15H2

InChIKey

UIWVOUBVGBJRNP-UHFFFAOYSA-N

SMILES

C1(N)=CC=C(C(F)(F)F)C=C1C(F)(F)F

CAS DataBase Reference

367-71-5(CAS DataBase Reference)

Safety Information

Hazard Codes 

T,Xn,Xi

Risk Statements 

23/24/25-33-36/38-36/37/38-20/21/22-52-36

Safety Statements 

36/37/39-45-36-26

RIDADR 

2810

Hazard Note 

Toxic

HazardClass 

6.1

PackingGroup 

III

HS Code 

2921420090

MSDS

• Language:English Provider:ALFA

2,4-BIS(TRIFLUOROMETHYL)ANILINE Usage And Synthesis

Synthesis

The general procedure for the synthesis of 2,4-bis(trifluoromethyl)aniline from 1-(trifluoromethyl)-1,2-phenyliodonyl-3(1H)-one and p-trifluoromethylaniline is as follows: in this embodiment, p-trifluoromethylaniline is used as the aromatic amine, and the rest of the reaction and post-treatment steps are the same as in embodiment 28. The specific reaction conditions were as follows: 1-(trifluoromethyl)-1,2-phenyliodono-3(1H)-one (0.5 mmol, 1.0 eq.), p-trifluoromethylaniline (1.5 mmol, 3.0 eq.), nickel hydroxide (10 μmol), and potassium carbonate (1.5 mmol, 3.0 eq.) were dissolved in DMSO (2 mL), and the reaction was carried out for 2 hr at 35 °C. After the reaction was completed, post-treatment was carried out according to the method in Example 1.

References

[1] Organic Letters, 2018, vol. 20, # 13, p. 3732 - 3735
[2] Patent: CN108503552, 2018, A. Location in patent: Paragraph 0142-0146

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