2-Fluoro-5-(trifluoromethyl)aniline Chemical Properties

Boiling point:

155 °C (lit.)

Density 

1.378 g/mL at 25 °C (lit.)

refractive index 

n20/D 1.461(lit.)

Flash point:

158 °F

storage temp. 

Keep in dark place,Inert atmosphere,2-8°C

solubility 

Chloroform, Methanol

pka

1.98±0.10(Predicted)

form 

Oil

color 

Clear Colourless

Specific Gravity

1.378

BRN 

1950800

InChI

InChI=1S/C7H5F4N/c8-5-2-1-4(3-6(5)12)7(9,10)11/h1-3H,12H2

InChIKey

DRKWGMXFFCPZLW-UHFFFAOYSA-N

SMILES

C1(N)=CC(C(F)(F)F)=CC=C1F

CAS DataBase Reference

535-52-4(CAS DataBase Reference)

NIST Chemistry Reference

Alpha,alpha,alpha,6-tetrafluoro-m-toluidine(535-52-4)

Safety Information

Hazard Codes 

Xn,Xi,T

Risk Statements 

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

Safety Statements 

26-36/37-45-36/37/39

RIDADR 

UN2810/6.1/II

WGK Germany 

3

Hazard Note 

Irritant

HazardClass 

6.1

HS Code 

29214200

MSDS

• Language:English Provider:ACROS
• Language:English Provider:SigmaAldrich
• Language:English Provider:ALFA

2-Fluoro-5-(trifluoromethyl)aniline Usage And Synthesis

Chemical Properties

clear yellow to orange liquid

Uses

2-Fluoro-5-(trifluoromethyl)aniline may be used in chemical synthesis studies.

Synthesis

General procedure for the synthesis of 2-fluoro-5-trifluoromethylaniline from 2-nitro-4-trifluoromethylfluorobenzene and iron powder: Referring to Example 1, 2-fluoro-5-trifluoromethylaniline was prepared as follows: 20 g of 3-nitro-4-fluorobenzotrifluoride was dissolved in 50 mL of methanol. Under stirring conditions, 16 g of iron powder was slowly added and concentrated hydrochloric acid was added dropwise. The reaction mixture was stirred at room temperature overnight. Upon completion of the reaction, an appropriate amount of sodium bicarbonate was added to neutralize the reaction solution. Subsequently, ether was added for extraction and the insoluble material was removed by filtration using diatomaceous earth. The ether phase was separated, dried over anhydrous sodium sulfate and concentrated under reduced pressure to give 14 g of the target product 2-fluoro-5-trifluoromethylaniline in 82% yield.

References

[1] Patent: EP1243584, 2002, A1

2-Fluoro-5-(trifluoromethyl)aniline(535-52-4)Related Product Information

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• 2-Fluoro-5-trifluoromethylpyridine
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