2,4-BIS(TRIFLUOROMETHYL)ANILINE

2,4-BIS(TRIFLUOROMETHYL)ANILINE Property

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

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

Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Danger

Hazard statements

H302Harmful if swallowed

H312Harmful in contact with skin

H315Causes skin irritation

H319Causes serious eye irritation

H331Toxic if inhaled

H373May cause damage to organs through prolonged or repeated exposure

Precautionary statements

P260Do not breathe dust/fume/gas/mist/vapours/spray.

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

P304+P340IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.

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

P405Store locked up.

2,4-BIS(TRIFLUOROMETHYL)ANILINE Chemical Properties,Usage,Production

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