4-Amino-3-chlorobenzotrifluoride Chemical Properties

Boiling point:

214-218 °C(lit.)

Density 

1.4160 g/mL at 25 °C(lit.)

refractive index 

n20/D 1.5030(lit.)

Flash point:

218 °F

storage temp. 

Keep in dark place,Sealed in dry,Room Temperature

form 

clear liquid

pka

0.82±0.10(Predicted)

color 

Colorless to Light yellow

BRN 

4179703

InChI

InChI=1S/C7H5ClF3N/c8-5-3-4(7(9,10)11)1-2-6(5)12/h1-3H,12H2

InChIKey

MBBUTABXEITVNY-UHFFFAOYSA-N

SMILES

C1(N)=CC=C(C(F)(F)F)C=C1Cl

CAS DataBase Reference

39885-50-2(CAS DataBase Reference)

Safety Information

Hazard Codes 

Xi,Xn,N,T

Risk Statements 

36/37/38-20/21/22-50-24-20/22

Safety Statements 

26-36-36/37/39-23-61-45

RIDADR 

UN2810

WGK Germany 

3

Hazard Note 

Irritant

HazardClass 

6.1

PackingGroup 

III

HS Code 

29039990

MSDS

• Language:English Provider:2-Chloro-4-(trifluoromethyl)aniline
• Language:English Provider:SigmaAldrich
• Language:English Provider:ACROS
• Language:English Provider:ALFA

4-Amino-3-chlorobenzotrifluoride Usage And Synthesis

Chemical Properties

clear light yellow to yellow liquid after melting

Definition

ChEBI: 2-Chloro-4-(trifluoromethyl)aniline is a member of (trifluoromethyl)benzenes.

Synthesis

The general procedure for the synthesis of 3-chloro-4-aminobenzotrifluoride and 3-amino-4-chlorobenzotrifluoride from 3,4-dichlorobenzotrifluoride was as follows: 1. 1050 mL of N-methylpyrrolidone and 102 g of anhydrous activated potassium fluoride were added to an autoclave followed by 377 g of 3,4-dichlorobenzotrifluoride. 2. 158 g of ammonia was vented from a pressure tank into the reactor at ambient temperature. 3. the reaction mixture was heated to 245-250°C over a period of 2 hours, at which time the reactor pressure reached 30-32 kg/cm2 . 4. continued to add excess ammonia from the pressure tank to maintain reactor pressure of 38-40 kg/cm2 at 245-250°C liquid temperature. 5. maintain the reaction mixture at 245-250°C and 38-40 kg/cm2 pressure for 8 hours. 6. cool the reaction mixture to ambient temperature, vent and recover unreacted ammonia. 7. Filter the reaction mixture and separate the products by fractional distillation. Based on the consumed 3,4-dichlorobenzotrifluoride, 3-chloro-4-aminobenzotrifluoride in 77% yield and 3-amino-4-chlorobenzotrifluoride in 13% yield were obtained.

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

4-Amino-3-chlorobenzotrifluoride(39885-50-2)Related Product Information

• 2-Chloro-4-(trifluoromethyl)pyridine
• 4-(Trifluoromethoxy)aniline
• N-Methylaniline
• 3-Chloro-4-hydroxybenzotrifluoride
• FLUOROLUBE GREASE, GR-362
• 3-Fluorobenzotrifluoride
• 2-(Trifluoromethyl)benzyl chloride
• ALTRENOGEST
• 3-(Trifluoromethyl)benzaldehyde
• 4-Aminobenzotrifluoride
• Benzotrifluoride
• 2-Aminobenzotrifluoride
• p-Toluidine
• 1,4-Bis(trifluoromethyl)-benzene
• N,N-Dimethylaniline
• Betaine
• Benzyl chloride
• λ-Cyhalothrin