2-Methyl-3-trifluoromethylaniline Chemical Properties

Melting point:

38-42 °C(lit.)

Boiling point:

62-64°C 4mm

Density 

1.237±0.06 g/cm3(Predicted)

Flash point:

>210 °F

storage temp. 

Keep in dark place,Inert atmosphere,Room temperature

solubility 

Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)

form 

Crystalline Powder

pka

3.23±0.10(Predicted)

color 

White

BRN 

2832865

InChI

InChI=1S/C8H8F3N/c1-5-6(8(9,10)11)3-2-4-7(5)12/h2-4H,12H2,1H3

InChIKey

TWLDBACVSHADLI-UHFFFAOYSA-N

SMILES

C1(N)=CC=CC(C(F)(F)F)=C1C

CAS DataBase Reference

54396-44-0(CAS DataBase Reference)

Safety Information

Hazard Codes 

Xi,T,T+

Risk Statements 

36/37/38-26/27/28

Safety Statements 

26-36-24/25

RIDADR 

2811

WGK Germany 

3

Hazard Note 

Toxic

HazardClass 

IRRITANT

HazardClass 

6.1

HS Code 

29214990

MSDS

• Language:English Provider:3-Amino-2-methylbenzotrifluoride
• Language:English Provider:SigmaAldrich
• Language:English Provider:ALFA

2-Methyl-3-trifluoromethylaniline Usage And Synthesis

Chemical Properties

White crystalline powder

Uses

2-Methyl-3-trifluoromethylaniline is a reactant in the synthesis of methylguanidine derivatives as prospective PET radioligands for the open channel of the NMDA receptor, linked to Alzheimer’s, epilepsy and other neurodegenerative disorders.

General Description

2-Methyl-3-(trifluoromethyl)aniline belongs to the trifluoromethylbenzene series.

Synthesis

A method for synthesizing 2-methyl-3-trifluoromethyl aniline, which takes 2-chloro-3-trifluoromethyl aniline as a raw material, introduces methylthio on the 2-chloro-3-trifluoromethyl aniline, reacts with sulfonyl chloride to convert the methylthio into chloromethyl, and then neutralizes and hydrogenates to obtain pure 2-Methyl-3-trifluoromethylaniline.

References

[1] Patent: US5248781, 1993, A
[2] Heterocycles, 1994, vol. 38, # 10, p. 2243 - 2246

2-Methyl-3-trifluoromethylaniline (54396-44-0)Related Product Information

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