2-Methyl-6-(trifluoromethyl)aniline

Base Information

• Chemical Name: 2-Methyl-6-(trifluoromethyl)aniline
• CAS No.: 88301-98-8
• Molecular Formula: C8H8F3N
• Molecular Weight: 175.153
• Hs Code.: 2921430090
• European Community (EC) Number: 810-867-4
• DSSTox Substance ID: DTXSID50536642
• Wikidata: Q72491969
• Mol file: 88301-98-8.mol

Synonyms:2-methyl-6-(trifluoromethyl)aniline;88301-98-8;2-Methyl-6-trifluoromethylaniline;2-Methyl-6-trifluoromethyl-phenylamine;2-Amino-3-methylbenzotrifluoride;Benzenamine, 2-methyl-6-(trifluoromethyl)-;SCHEMBL77056;2-trifluoromethyl-6-methylaniline;DTXSID50536642;2-Amino-3-(trifluoromethyl)toluene;CL8405;MFCD03701069;2-methyl-6-(trifluoromethyl)-aniline;AKOS006346299;AM84082;CS-W006252;DS-12970;EN300-800013;J-510017;2-Methyl-6-(trifluoromethyl)aniline

Chemical Property of 2-Methyl-6-(trifluoromethyl)aniline

Chemical Property:

• Vapor Pressure: 0.352mmHg at 25°C
• Refractive Index: 1.481
• Boiling Point: 198.831 °C at 760 mmHg
• PKA: 1.32±0.10(Predicted)
• Flash Point: 81.588 °C
• PSA: 26.02000
• Density: 1.238 g/cm³
• LogP: 3.17720
• Storage Temp.: Keep in dark place,Sealed in dry,Store in freezer, under -20°C
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 175.06088375
• Heavy Atom Count: 12
• Complexity: 155

Purity/Quality:

97% ^*data from raw suppliers

2-Methyl-6-(trifluoromethyl)aniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=CC=C1)C(F)(F)F)N

Technology Process of 2-Methyl-6-(trifluoromethyl)aniline

There total 14 articles about 2-Methyl-6-(trifluoromethyl)aniline which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

2-nitro-3-trifluoromethyl-toluene (92891-23-1) → 2-methyl-6-(trifluoromethyl)aniline (88301-98-8)

Guidance literature:

With hydrogen; palladium 10% on activated carbon; In methanol; at 20 ℃; under 2250.23 Torr;

Reference yield: 97.0%

<2-Amino-3-(trifluoromethyl)benzyl>trimethylammonoium chloride (88301-97-7) → 2-methyl-6-(trifluoromethyl)aniline (88301-98-8)

Guidance literature:

With hydrogen; palladium on activated charcoal; In water; at 50 ℃; for 3h; under 3102.9 Torr;

DOI:10.1021/jo00198a025

Reference yield: 70.0%

methanol (67-56-1) + 2-(Chloromethyl)-6-(trifluoromethyl)anilinium Chloride (88301-74-0) → 2-methyl-6-(trifluoromethyl)aniline (88301-98-8) + 2-trifluoromethyl-6-(methoxymethyl)aniline

Guidance literature:

With palladium 10% on activated carbon; ammonium formate; at 20 ℃;

DOI:10.1007/s00044-019-02415-4

upstream raw materials:

2-nitro-3-trifluoromethyl-toluene

2-(Chloromethyl)-6-(trifluoromethyl)anilinium Chloride

<2-Amino-3-(trifluoromethyl)benzyl>trimethylammonoium chloride

Bromotrifluoromethane

Downstream raw materials:

4-bromo-2-methyl-6-(trifluoromethyl)aniline