2,6-Bis(trifluoromethyl)aniline

Base Information

• Chemical Name: 2,6-Bis(trifluoromethyl)aniline
• CAS No.: 313-13-3
• Molecular Formula: C8H5F6N
• Molecular Weight: 229.125
• Hs Code.: 2921420090
• European Community (EC) Number: 696-432-8
• DSSTox Substance ID: DTXSID20426506
• Wikidata: Q82239404
• Mol file: 313-13-3.mol

Synonyms:2,6-Bis(trifluoromethyl)aniline;313-13-3;MFCD01313162;SCHEMBL396026;DTXSID20426506;KEYVECAMLDRXSJ-UHFFFAOYSA-N;WSRAHWUVDVJIDE-UHFFFAOYSA-N;2,6-bis(trifluoromethyl)benzenamine;AKOS005259467;AC-3710;AM61895;SB79607;Benzenamine, 2,6-bis(trifluoromethyl)-;AS-33011;CS-0136678;FT-0657710;A19723;EN300-1642266;2,6-Bis-trifluoromethyl-phenylamine;2,6-di(trifluoromethyl)aniline;TOLUENE-4-SULFONICACID2-(2-OXO-OXAZOLIDIN-3-YL)-ETHYLESTER

Chemical Property of 2,6-Bis(trifluoromethyl)aniline

Chemical Property:

• Boiling Point: 171.6 °C at 760 mmHg
• PKA: -1.67±0.13(Predicted)
• Flash Point: 67.9 °C
• PSA: 26.02000
• Density: 1.443 g/cm³
• LogP: 3.88760
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 0
• Exact Mass: 229.03261814
• Heavy Atom Count: 15
• Complexity: 198

Purity/Quality:

99%, ^*data from raw suppliers

2,6-Bis(trifluoromethyl)aniline 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2,6-Bis(trifluoromethyl)aniline

There total 4 articles about 2,6-Bis(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:

N-(2,6-bis-trifluoromethyl-phenyl)-phthalimide (2377-33-5) → 2,6-bis-trifluoromethyl-aniline (313-13-3)

Guidance literature:

With steam; hydrazine hydrate;

Reference yield:

2,6-Di-(trifluormethyl)-benzamid (24821-23-6) → 2,6-bis-trifluoromethyl-aniline (313-13-3)

Guidance literature:

With potassium hydroxide; bromine;

Reference yield:

benzene-1,2,3-tricarboxlic acid (569-51-7) → 2,6-bis-trifluoromethyl-aniline (313-13-3)

Guidance literature:

Multi-step reaction with 3 steps

1: SF₄ / 150 - 175 °C

2: NH₃

3: aq. KOH, Br₂

With potassium hydroxide; sulfur tetrafluoride; ammonia; bromine;

upstream raw materials:

N-(2,6-bis-trifluoromethyl-phenyl)-phthalimide

2,6-Di-(trifluormethyl)-benzamid

benzene-1,2,3-tricarboxlic acid

2,6-bis(trifluoromethyl)benzoyl fluoride

Downstream raw materials:

1,3-bis(trifluoromethyl)benzene

2,6-Bis-trifluormethyl-acetanilid