5-Chloro-4-fluoro-2-nitroaniline

Base Information

• Chemical Name: 5-Chloro-4-fluoro-2-nitroaniline
• CAS No.: 104222-34-6
• Molecular Formula: C6H4ClFN2O2
• Molecular Weight: 190.561
• Hs Code.: 29214200
• European Community (EC) Number: 677-664-9
• DSSTox Substance ID: DTXSID00333729
• Wikidata: Q82099227
• Mol file: 104222-34-6.mol

Synonyms:5-Chloro-4-fluoro-2-nitroaniline;104222-34-6;Benzenamine, 5-chloro-4-fluoro-2-nitro-;2-nitro-4-fluoro-5-chloroaniline;3-Chloro-4-fluoro-6-nitroaniline;Benzenamine,5-chloro-4-fluoro-2-nitro-;SCHEMBL1877078;DTXSID00333729;MFCD00052698;STL553976;5-chloro-4-fluoro-2-nitrobenzenamine;AKOS006220716;5-chloro-4-fluoro-2-nitro-phenylamine;AC-3726;AM61724;CS-W015869;DS-11949;C3141;FT-0620297;A19794;EN300-220601;W-204527

Chemical Property of 5-Chloro-4-fluoro-2-nitroaniline

Chemical Property:

• Appearance/Colour: orange crystalline powder
• Vapor Pressure: 0.000115mmHg at 25°C
• Melting Point: 142-145 °C
• Refractive Index: 1.617
• Boiling Point: 336.085 °C at 760 mmHg
• PKA: -1.36±0.25(Predicted)
• Flash Point: 157.059 °C
• PSA: 71.84000
• Density: 1.592 g/cm³
• LogP: 3.07390
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 189.9945332
• Heavy Atom Count: 12
• Complexity: 187

Purity/Quality:

98%,99%, ^*data from raw suppliers

5-Chloro-4-fluoro-2-nitroaniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn; T
• Hazard Codes: Xn,T
• Statements: 36/37/38-20/21/22
• Safety Statements: 36/37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=CC(=C1Cl)F)[N+](=O)[O-])N

Technology Process of 5-Chloro-4-fluoro-2-nitroaniline

There total 3 articles about 5-Chloro-4-fluoro-2-nitroaniline 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: 98.0%

N-(3-chloro-4-fluoro-2-nitrophenyl)acetamide (81962-58-5) → 2-nitro-4-fluoro-5-chloroaniline (104222-34-6)

Guidance literature:

With hydrogenchloride; In ethanol; for 3h; Heating;

Reference yield:

3-chloro-4-fluorophenylamine (367-21-5) → 2-nitro-4-fluoro-5-chloroaniline (104222-34-6)

Guidance literature:

Multi-step reaction with 3 steps

1: 96 percent / 0.5 h / 20 °C

2: 70 percent / conc. H₂SO₄, conc. HNO₃ / 2 h / 0 - 5 °C

3: 98 percent / conc. HCl / ethanol / 3 h / Heating

With hydrogenchloride; sulfuric acid; nitric acid; In ethanol;

Reference yield:

N-(3-chloro-4-fluorophenyl)acetamide (877-90-7) → 2-nitro-4-fluoro-5-chloroaniline (104222-34-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 70 percent / conc. H₂SO₄, conc. HNO₃ / 2 h / 0 - 5 °C

2: 98 percent / conc. HCl / ethanol / 3 h / Heating

With hydrogenchloride; sulfuric acid; nitric acid; In ethanol;

upstream raw materials:

N-(3-chloro-4-fluoro-2-nitrophenyl)acetamide

3-chloro-4-fluorophenylamine

N-(3-chloro-4-fluorophenyl)acetamide

Downstream raw materials:

5-chloro-4-fluoro-N-(2,6-difluorobenzyl)-2-nitroaniline

5-chloro-4-fluoro-N-(3,5-dimethylbenzyl)-2-nitroaniline

2-nitro-4-fluoro-5-(4-oxo-4H-pyridin-1-yl)-aniline

5-chloro-4-fluoro-2-nitro-benzonitrile

Refernces

• 1、 Patel, Saloni B.,Patel, Bhumika D.,Pannecouque, Christophe,Bhatt, Hardik G.. "Design, synthesis and anti-HIV activity of novel quinoxaline derivatives". . p. 230 - 240. Retrieved 2016.
• 2、 El-Abadelah, Mustafa M.,Nazer, Musa Z.,El-Abadla, Naser S.,Meier, Herbert. "6-FLUORO-7-(1-PIPERAZINYL)QUINOXALINE 1,4-DIOXIDES. PART I. 2-(N-2-HYDROXYALKYLCARBAMOYL) DERIVATIVES". . p. 2203 - 2220. Retrieved 2007/10/03.