4-Chloro-alpha,alpha,alpha-trifluoro-m-toluidine Chemical Properties

Melting point:

35-37 °C(lit.)

Boiling point:

85 °C (3 mmHg)

Density 

1.4070 (estimate)

vapor pressure 

13Pa at 25℃

Flash point:

>230 °F

storage temp. 

Keep in dark place,Sealed in dry,Room Temperature

solubility 

Chloroform (Slightly), Methanol (Slightly)

form 

Crystalline Powder or Low Melting Solid

pka

2.74±0.10(Predicted)

color 

White to pinkish or slightly orange

FreezingPoint 

34.0 to 37.0 ℃

BRN 

641588

InChIKey

ASPDJZINBYYZRU-UHFFFAOYSA-N

LogP

2.68 at 25℃

CAS DataBase Reference

320-51-4(CAS DataBase Reference)

NIST Chemistry Reference

Benzenamine, 4-chloro-3-(trifluoromethyl)-(320-51-4)

EPA Substance Registry System

Benzenamine, 4-chloro-3-(trifluoromethyl)- (320-51-4)

Safety Information

Hazard Codes 

Xi,T,Xn

Risk Statements 

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

Safety Statements 

22-24/25-45-36-26-36/37

RIDADR 

UN2811

WGK Germany 

2

Hazard Note 

Irritant

TSCA 

T

HazardClass 

6.1

PackingGroup 

III

HS Code 

29214300

MSDS

• Language:English Provider:4-Chloro-alpha,alpha,alpha-trifluoro-m-toluidine
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4-Chloro-alpha,alpha,alpha-trifluoro-m-toluidine Usage And Synthesis

Chemical Properties

white to pinkish crystalline powder

Uses

5-Amino-2-chlorobenzotrifluoride is a compound useful in organic synthesis. It also performs a radioprotective activity against ionizing radiations.

Definition

ChEBI: A monochlorobenzene that is the 3-trifluoromethyl derivative of 4-chloroaniline.

Synthesis

General procedure for the synthesis of 2-chloro-5-aminobenzotrifluoride from 2-chloro-5-nitrobenzotrifluoride: In 1.0 mL of 2 wt% TPGS/H2O solution, 1-chloro-4-nitro-2-(trifluoromethyl)benzene (113 mg, 0.50 mmol), Fe nanoparticles (6 mg) and NaBH4 (28.5 mg, 0.75 mmol) were added. The reaction was carried out at room temperature for 2 hours. Upon completion of the reaction, 91.7 mg (94% yield) of 4-chloro-3-(trifluoromethyl)aniline was obtained as a colorless oil (hexane/ethyl acetate = 80/20). The spectral data of the product were in agreement with those reported in the literature.GC-MS analysis showed m/z: 195 [M]+.

References

[1] Green Chemistry, 2018, vol. 20, # 1, p. 130 - 135
[2] Angewandte Chemie - International Edition, 2016, vol. 55, # 31, p. 8979 - 8983
[3] Angew. Chem., 2016, vol. 128, # 31, p. 9125 - 9129,5
[4] Patent: WO2017/106426, 2017, A1. Location in patent: Paragraph 0084; 0088
[5] Patent: CN108191670, 2018, A. Location in patent: Paragraph 0047; 0050; 0053; 0056; 0057-0059; 0062-0068

4-Chloro-alpha,alpha,alpha-trifluoro-m-toluidine(320-51-4)Related Product Information

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