2-Amino-5-chlorobenzotrifluoride Chemical Properties

Melting point:

8.8 °C

Boiling point:

66-67 °C3 mm Hg(lit.)

Density 

1.386 g/mL at 25 °C(lit.)

vapor pressure 

48.5-1013hPa at 110.5-208.2℃

refractive index 

n20/D 1.507(lit.)

Flash point:

203 °F

storage temp. 

2-8°C

pka

0.83±0.10(Predicted)

form 

clear liquid

color 

Colorless to Orange to Green

Specific Gravity

1.386

PH

7.4 at 20℃ and 995mg/L

BRN 

2366801

LogP

2.68

CAS DataBase Reference

445-03-4(CAS DataBase Reference)

NIST Chemistry Reference

Benzenamine, 4-chloro-2-(trifluoromethyl)-(445-03-4)

EPA Substance Registry System

4-Chloro-2-(trifluoromethyl)aniline (445-03-4)

Safety Information

Hazard Codes 

Xn,Xi

Risk Statements 

20/21/22-33-36/37/38-41-22

Safety Statements 

26-36-37/39

RIDADR 

UN 2810

WGK Germany 

2

Hazard Note 

Irritant

TSCA 

T

HazardClass 

6.1

PackingGroup 

III

HS Code 

29214300

MSDS

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2-Amino-5-chlorobenzotrifluoride Usage And Synthesis

Chemical Properties

Clear yellow liquid

Uses

4-Chloro-2-(trifluoromethyl)aniline was used in the synthesis of 2-amino-5-chloro 3-(trifluoromethyl)benzenethiol.

Uses

2-Amino-5-chlorobenzotrifluoride is a biologically active compound and useful building block. It can be transformed into a variety of valuable fluorine-containing molecules and heterocyclic compounds.

Preparation

Preparation?of?the?chromophore : 4-Chloro-2-(trifluoromethyl)benzenamme?and 4-Chloro-1-nitro-2-(trifluoromethyl)benzene? reduction.

General Description

Fourier-transform (FT) infrared and FT-Raman spectra of 4-chloro-2-(trifluoromethyl) aniline has been studied.

Synthesis

The general procedure for synthesizing 2-amino-5-chlorobenzotrifluoride from 1-(trifluoromethyl)-1,2-phenyliodonyl-3(1H)-one and 4-chloroaniline is as follows: in this embodiment, p-chloroaniline was used as the aromatic amine, and the rest of the reaction and post-processing steps were the same as in Example 28. The specific reaction conditions were as follows: 1-(trifluoromethyl)-1,2-phenyliodono-3(1H)-one (0.5 mmol, 1.0 eq.), 4-chloroaniline (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, the product was isolated and purified according to the post-processing procedure in Example 1.

References

[1] Organic Letters, 2018, vol. 20, # 13, p. 3732 - 3735
[2] Patent: CN108503552, 2018, A. Location in patent: Paragraph 0190-0194
[3] Organic Letters, 2014, vol. 16, # 6, p. 1768 - 1771

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