4-Chloro-2-nitro-5-(trifluoromethyl)aniline

Base Information

• Chemical Name: 4-Chloro-2-nitro-5-(trifluoromethyl)aniline
• CAS No.: 167415-22-7
• Molecular Formula: C7H4ClF3N2O2
• Molecular Weight: 240.569
• Hs Code.: 2921420090
• DSSTox Substance ID: DTXSID90372203
• Wikidata: Q72456209
• Mol file: 167415-22-7.mol

Synonyms:167415-22-7;4-Chloro-2-nitro-5-(trifluoromethyl)aniline;5-Amino-2-chloro-4-nitrobenzotrifluoride;2-Nitro-4-chloro-5-(trifluoromethyl)aniline;MFCD03094264;3-amino-6-chloro-4-nitrobenzotrifluoride;SCHEMBL463026;Benzenamine, 4-chloro-2-nitro-5-(trifluoromethyl)-;DTXSID90372203;ISOFLUPREDONEACETATE(200MG);CL8441;AKOS005072488;EA-0732;SY012282;AM20061019;CS-0040766;FT-0657128;EN300-7365719;4-CHLORO-2-NITRO-5-TRIFLUOROMETHYLANILINE;A810865;Benzenamine,4-chloro-2-nitro-5-(trifluoromethyl)-;J-514980;4-chloro-2-nitro-5-(trifluoromethyl)aniline

Chemical Property of 4-Chloro-2-nitro-5-(trifluoromethyl)aniline

Chemical Property:

• Vapor Pressure: 0.000276mmHg at 25°C
• Melting Point: 123-125 °C
• Refractive Index: 1.542
• Boiling Point: 322.6 °C at 760 mmHg
• Flash Point: 148.9 °C
• PSA: 71.84000
• Density: 1.614 g/cm³
• LogP: 3.95360
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 239.9913396
• Heavy Atom Count: 15
• Complexity: 256

Purity/Quality:

98%min ^*data from raw suppliers

5-Amino-2-chloro-4-nitrobenzotrifluoride 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Chloro-2-nitro-5-(trifluoromethyl)aniline

There total 3 articles about 4-Chloro-2-nitro-5-(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: 92.0%

2-Chloro-5-(trifluoroacetamido)-4-nitrobenzotrifluoride (167415-21-6) → 5-Amino-2-chloro-4-nitrobenzotrifluoride (167415-22-7)

Guidance literature:

With potassium carbonate; In methanol; at 25 ℃; for 1h;

DOI:10.1021/jo00123a020

Reference yield:

4-chloro-3-trifluoromethyl-aniline (320-51-4) → 5-Amino-2-chloro-4-nitrobenzotrifluoride (167415-22-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 87 percent / KNO₃ / 1.) ice bath, 1 h, 2.) 25 deg C, overnight

2: 92 percent / 7percent aq. K₂CO₃ / methanol / 1 h / 25 °C

With potassium carbonate; potassium nitrate; In methanol;

DOI:10.1021/jo00123a020

Reference yield:

→ 5-Amino-2-chloro-4-nitrobenzotrifluoride (167415-22-7)

Guidance literature:

upstream raw materials:

2-Chloro-5-(trifluoroacetamido)-4-nitrobenzotrifluoride

4-chloro-3-trifluoromethyl-aniline

Downstream raw materials:

4-chloro-5-(trifluoromethyl)-1,2-diaminobenzene

5-chloro-4-(trifluoromethyl)-2-[(trimethylsilyl)ethynyl]aniline

2-bromo-5-chloro-4-trifluoromethyl-phenylamine

5-bromo-2-chloro-4-nitrobenzotrifluoride

Refernces

• 1、 Kher, Sunil M.,Cai, Sui Xiong,Weber, Eckard,Keana, John F. W.. "Regiospecific Oxidative Nitration of 3,4-Dihydro-6,7-disubstituted Quinoxalin-2(1H)-ones Gives 1,4-Dihydro-5-nitro-6,7-disubstituted Quinoxaline-2,3-diones, Potent Antagonists at the NMDA/Glycine Site". . p. 5838 - 5842. Retrieved 2007/10/03.