5-Amino-2-fluoro-4-nitrobenzotrifluoride

Base Information

• Chemical Name: 5-Amino-2-fluoro-4-nitrobenzotrifluoride
• CAS No.: 179062-05-6
• Molecular Formula: C7H4F4N2O2
• Molecular Weight: 224.11200
• Hs Code.: 2928009090
• DSSTox Substance ID: DTXSID20372216
• Wikidata: Q82159801
• Mol file: 179062-05-6.mol

Synonyms:5-Amino-2-fluoro-4-nitrobenzotrifluoride;179062-05-6;4-fluoro-2-nitro-5-(trifluoromethyl)aniline;Benzenamine, 4-fluoro-2-nitro-5-(trifluoromethyl)-;4-FLUORO-2-NITRO-5-TRIFLUOROMETHYLANILINE;SCHEMBL462851;DTXSID20372216;CL8444;MFCD03094267;AKOS005259281;AM62308;DS-0839;SB80378;2-Fluoro-4-nitro-5-aminobenzotrifluoride;3-amino-6-fluoro-4-nitrobenzotrifluoride;CS-0097944;A21512

Chemical Property of 5-Amino-2-fluoro-4-nitrobenzotrifluoride

Chemical Property:

• Vapor Pressure: 0.000758mmHg at 25°C
• Boiling Point: 306.7oC at 760 mmHg
• Flash Point: 139.3oC
• PSA: 71.84000
• Density: 1.586g/cm3
• LogP: 3.43930
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 0
• Exact Mass: 224.02089002
• Heavy Atom Count: 15
• Complexity: 252

Purity/Quality:

98%min ^*data from raw suppliers

5-Amino-2-fluoro-4-nitrobenzotrifluoride 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=CC(=C1N)[N+](=O)[O-])F)C(F)(F)F

Technology Process of 5-Amino-2-fluoro-4-nitrobenzotrifluoride

There total 3 articles about 5-Amino-2-fluoro-4-nitrobenzotrifluoride 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:

4-fluoro-2-nitro-5-(trifluoromethyl)acetanilide (143151-01-3) → 4-fluoro-2-nitro-5-trifluoromethyl-aniline (179062-05-6)

Guidance literature:

In hydrogenchloride; ethanol;

Reference yield:

4-Fluoro-3-trifluoromethylaniline (2357-47-3) → 4-fluoro-2-nitro-5-trifluoromethyl-aniline (179062-05-6)

Guidance literature:

Multi-step reaction with 3 steps

1: acetic anhydride

2: nitric acid / concentrated H₂ SO₄

3: hydrogenchloride; ethanol

With nitric acid; In hydrogenchloride; concentrated H₂ SO₄; ethanol; acetic anhydride;

Reference yield:

→ 4-fluoro-2-nitro-5-trifluoromethyl-aniline (179062-05-6)

Guidance literature:

upstream raw materials:

4-fluoro-2-nitro-5-(trifluoromethyl)acetanilide

4-Fluoro-3-trifluoromethylaniline

Downstream raw materials:

1,2-diamino-4-fluoro-5-trifluoromethylbenzene

Refernces

• 1、 -. "Glycine receptor antagonists and the use thereof". . . Retrieved 2008/06/13.