Introduction：Basic information about 2-Methyl-3-trifluoromethylaniline CAS 54396-44-0, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
2-Methyl-3-trifluoromethylaniline Basic information
| Product Name: | 2-Methyl-3-trifluoromethylaniline |
| Synonyms: | MABTF;2-METHYL-3-(TRIFLUOROMETHYL)ANILINE;2-METHYL-3-TRIFLUOROMETHYL-PHENYLAMINE;3-TRIFLUOROMETHYL-O-TOLUIDINE;3-PERFLUOROMETHYL-2-METHYLANILINE;3-AMINO-2-METHYLBENZOTRIFLUORIDE;2-Methyl-3-Amino Benzotrifluoride;2-methyl-3-thifluoromethylaniline |
| CAS: | 54396-44-0 |
| MF: | C8H8F3N |
| MW: | 175.15 |
| EINECS: | 259-145-5 |
| Product Categories: | Amines;C8;Nitrogen Compounds;API intermediates;Trifluoromethylbenzene serise |
| Mol File: | 54396-44-0.mol |
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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) |
| Fp | >210 °F |
| storage temp. | Keep in dark place,Inert atmosphere,Room temperature |
| solubility | Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly) |
| pka | 3.23±0.10(Predicted) |
| form | Crystalline Powder |
| 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 |
| Storage Class | 11 - Combustible Solids |
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.
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| References | [1] Patent: US5248781, 1993, A
[2] Heterocycles, 1994, vol. 38, # 10, p. 2243 - 2246 |
2-Methyl-3-trifluoromethylaniline Preparation Products And Raw materials
| Raw materials | 2,2-DIMETHYL-N-[2-METHYL-3-(TRIFLUOROMETHYL)PHENYL]-PROPIONAMIDE-->2-Methyl-3-nitrobenzotrifluoride-->Hydrochloric acid-->Ethanol |
| Preparation Products | 3-Iodo-2-methylbenzotrifluoride |
