2-Fluoro-5-(trifluoromethoxy)aniline

Base Information

• Chemical Name: 2-Fluoro-5-(trifluoromethoxy)aniline
• CAS No.: 116369-23-4
• Molecular Formula: C7H5F4NO
• Molecular Weight: 195.116
• Hs Code.: 2922299090
• European Community (EC) Number: 640-294-3
• DSSTox Substance ID: DTXSID00560295
• Wikidata: Q72477189
• Mol file: 116369-23-4.mol

Synonyms:2-Fluoro-5-(trifluoromethoxy)aniline;116369-23-4;2-Fluoro-3-Trifluoromethoxy Aniline;Benzenamine, 2-fluoro-5-(trifluoromethoxy)-;2-fluoro-5-trifluoromethoxy aniline;SCHEMBL1275899;AMY8700;DTXSID00560295;MFCD09832254;AKOS006281838;PS-8286;CS-0084339;2-Fluoro-5-(trifluoromethoxy)aniline,jrd,97%;EN300-4274838;2-fluoro-5-(trifluoromethoxy)aniline, AldrichCPR;J-509468

Chemical Property of 2-Fluoro-5-(trifluoromethoxy)aniline

Chemical Property:

• Vapor Pressure: 0.54mmHg at 25°C
• Refractive Index: 1.464
• Boiling Point: 185.5 °C at 760 mmHg
• PKA: 1.97±0.10(Predicted)
• Flash Point: 66 °C
• PSA: 35.25000
• Density: 1.431 g/cm³
• LogP: 2.88770
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• Water Solubility.: Insoluble in water.
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 195.03072643
• Heavy Atom Count: 13
• Complexity: 172

Purity/Quality:

97% ^*data from raw suppliers

2-Fluoro-5-(trifluoromethoxy)aniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1OC(F)(F)F)N)F
• Uses: In discovery of novel benzimidazoles as potent inhibitors of TIE-2 and VEGFR-2 tyrosine kinase receptors 2-Fluoro-5-(trifluoromethoxy)aniline is used as coupling agent. 2-Fluoro-5-(trifluoromethyl)aniline may be used in chemical synthesis studies.

Technology Process of 2-Fluoro-5-(trifluoromethoxy)aniline

There total 2 articles about 2-Fluoro-5-(trifluoromethoxy)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:

1-fluoro-4-(trifluoromethoxy)benzene (352-67-0) → 2-fluoro-5-(trifluoromethoxy)aniline (116369-23-4) + 5-fluoro-2-trifluoromethoxy-phenylamine (123572-63-4)

Guidance literature:

1-fluoro-4-(trifluoromethoxy)benzene; With sulfuric acid; nitric acid; at 0 ℃; for 1.16667h;

With hydrogen; nickel; In methanol; for 5h; under 2068.65 Torr;

Reference yield:

4-fluoro-2-nitro-1-trifluoromethoxy-benzene (123572-62-3) + 1-fluoro-2-nitro-4-(trifluoromethoxy)benzene (124170-06-5) → 2-fluoro-5-(trifluoromethoxy)aniline (116369-23-4) + 5-fluoro-2-trifluoromethoxy-phenylamine (123572-63-4)

Guidance literature:

With hydrogenchloride; hydrogen; palladium 10% on activated carbon; In ethanol; for 3.5h; under 2585.81 Torr;

Reference yield: 99.0%

2-fluoro-5-(trifluoromethoxy)aniline (116369-23-4) + chloroformic acid ethyl ester (541-41-3) → (2-fluoro-5-trifluoromethoxy-phenyl)-carbamic acid ethyl ester (1208977-11-0)

Guidance literature:

With pyridine; In tetrahydrofuran; at 0 ℃; for 1.5h;

upstream raw materials:

4-fluoro-2-nitro-1-trifluoromethoxy-benzene

1-fluoro-2-nitro-4-(trifluoromethoxy)benzene

1-fluoro-4-(trifluoromethoxy)benzene

Downstream raw materials:

2,2,2-trifluoro-N-(5-fluoro-2-trifluoromethoxy-phenyl)-acetamide

(2-fluoro-5-trifluoromethoxy-phenyl)-carbamic acid ethyl ester

(6-fluoro-2-iodo-3-trifluoromethoxy-phenyl)-carbamic acid ethyl ester

(6-fluoro-3-trifluoromethoxy-2-trimethylsilanylethynyl-phenyl)-carbamic acid ethyl ester