3-Amino-4-chlorobenzotrifluoride Chemical Properties

Melting point:

10 °C

Boiling point:

82-83 °C (9 mmHg)

Density 

1.428 g/mL at 25 °C(lit.)

vapor pressure 

0.15 hPa

refractive index 

n20/D 1.499(lit.)

Flash point:

75 °C

storage temp. 

Store below +30°C.

solubility 

11g/l

pka

1.43±0.10(Predicted)

form 

clear liquid

Colour Index 

37050

color 

Colorless to Yellow to Green

Specific Gravity

1.428

Water Solubility 

11 g/L (60 ºC)

BRN 

879910

CAS DataBase Reference

121-50-6(CAS DataBase Reference)

NIST Chemistry Reference

Benzenamine, 2-chloro-5-(trifluoromethyl)-(121-50-6)

EPA Substance Registry System

Benzenamine, 2-chloro-5-(trifluoromethyl)- (121-50-6)

Safety Information

Hazard Codes 

Xn,Xi,N

Risk Statements 

20/21/22-51/53-36/37/38

Safety Statements 

36/37-60-57-36/37/39-26-36

RIDADR 

UN 2810 6.1/PG 3

WGK Germany 

2

RTECS 

XU5775000

Autoignition Temperature

≥560°C

Hazard Note 

Irritant

TSCA 

Yes

HazardClass 

6.1

PackingGroup 

III

HS Code 

29214300

MSDS

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3-Amino-4-chlorobenzotrifluoride Usage And Synthesis

Chemical Properties

CLEAR COLORLESS TO LIGHT YELLOW LIQUID

Uses

2-Chloro-5-trifluoromethylaniline

Synthesis

Example 1: N-methylpyrrolidone (1050 mL) was added to an autoclave with 102 g of anhydrous activated potassium fluoride followed by 377 g of 3,4-dichlorobenzotrifluoride. At ambient temperature, 158 g of ammonia was vented from a pressure tank into the reactor. The reaction mixture was heated to 245-250 °C over a period of 2 h, at which time the reactor pressure reached 30-32 kg/cm2. excess ammonia gas was continued to be passed from the pressure tank to maintain the reactor pressure at 38-40 kg/cm2 at a liquid temperature of 245-250 °C. The reaction was maintained at this temperature and pressure condition for 8 h. The reaction was completed with the addition of 377 g of potassium fluoride, followed by the addition of 377 g of 3,4-dichlorobenzotrifluoride. Upon completion of the reaction, the mixture was cooled to ambient temperature and the unreacted ammonia gas was drained and recovered. The reaction mixture was filtered and the products were separated by fractional distillation to give 2-chloro-4-trifluoromethylaniline (77% yield) and 2-chloro-5-trifluoromethylaniline (13% yield) based on 3,4-dichlorobenzotrifluoride consumption calculations.

References

[1] Patent: WO2011/107998, 2011, A1. Location in patent: Page/Page column 17
[2] Patent: US2013/30190, 2013, A1. Location in patent: Paragraph 0060

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