1,2,3-Trifluoro-4-nitrobenzene

Base Information

• Chemical Name: 1,2,3-Trifluoro-4-nitrobenzene
• CAS No.: 771-69-7
• Molecular Formula: C6H2F3NO2
• Molecular Weight: 177.083
• Hs Code.: 29042090
• European Community (EC) Number: 212-238-4
• UNII: NKN86LZ8MM
• DSSTox Substance ID: DTXSID30227889
• Nikkaji Number: J106.079A
• Wikidata: Q72513140
• Mol file: 771-69-7.mol

Synonyms:1,2,3-Trifluoro-4-nitrobenzene;771-69-7;2,3,4-Trifluoronitrobenzene;2,3,4-trifluoro-1-nitrobenzene;4-Nitro-1,2,3-trifluorobenzene;Benzene, 1,2,3-trifluoro-4-nitro-;Trifluoronitrobenzene;MFCD00041546;NKN86LZ8MM;EINECS 212-238-4;2,3,4-Trifluornitrobenzene;1,2,3-trifluoro-4-nitro-benzene;UNII-NKN86LZ8MM;1,2,3-trifluoronitrobenzene;SCHEMBL57498;2,3,4-trifluoro-nitrobenzene;2,3, 4-Trifluoronitrobenzene;ARCACZWMYGILNI-UHFFFAOYSA-;AMY8658;DTXSID30227889;2,3,4-Trifluoronitrobenzene, 99%;AKOS006221877;AB01876;CS-W005136;AC-10203;AS-12427;A9773;FT-0609387;T1539;EN300-64158;W-104327;Z992434824;1,2,3-trifluoro-4-nitrobenzene

Chemical Property of 1,2,3-Trifluoro-4-nitrobenzene

Chemical Property:

• Appearance/Colour: clear yellow liquid after melting
• Vapor Pressure: 2.4mmHg at 25°C
• Refractive Index: n20/D 1.492(lit.)
• Boiling Point: 201.8 °C at 760 mmHg
• Flash Point: 87 °C
• PSA: 45.82000
• Density: 1.554 g/cm³
• LogP: 2.53530
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 177.00376279
• Heavy Atom Count: 12
• Complexity: 184

Purity/Quality:

99% ^*data from raw suppliers

2,3,4-Trifluoronitrobenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,Xi
• Hazard Codes: Xn,Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1[N+](=O)[O-])F)F)F
• Uses: 2,3,4-Trifluoronitrobenzene is a useful research chemical. 2,3,4-Trifluoronitrobenzene was employed as starting reagent in the synthesis of ofloxacin. It was also used in the synthesis of the third generation quinolones antibacterial drugs.

Technology Process of 1,2,3-Trifluoro-4-nitrobenzene

There total 16 articles about 1,2,3-Trifluoro-4-nitrobenzene 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: 99.7%

4-nitro-1,2,3-trichlorobenzene (17700-09-3) → 2,3,4-trifluoronitrobenzene (771-69-7)

Guidance literature:

4-nitro-1,2,3-trichlorobenzene; With potassium fluoride; tetrabutylammomium bromide; In dimethyl sulfoxide; at 75 - 80 ℃; for 4h;

With potassium fluoride; tetrabutyl ammonium fluoride; In dimethyl sulfoxide; at 75 - 180 ℃; for 12h; Time;

Reference yield: 93.0%

→ 2,3,4-trifluoronitrobenzene (771-69-7)

Guidance literature:

With hydrogen fluoride; at 60 ℃; for 3h; Inert atmosphere; Autoclave;

Reference yield: 85.5%

1,3-dichloro-2-fluorobenzene (2268-05-5) → 2,3,4-trifluoronitrobenzene (771-69-7)

Guidance literature:

1,3-dichloro-2-fluorobenzene; With sulfuric acid; nitric acid; at 20 - 25 ℃; for 2.5h;

With sulfolane; potassium fluoride; for 5h;

upstream raw materials:

1,3-dichloro-2-fluoro-4-nitrobenzene

1,2,3-trifluorobenzene

3,4,5-trifluoro aniline

1,3-dichloro-2-fluorobenzene

Downstream raw materials:

2,3,4-trifluoro-5-(trimethylsilyl)nitrobenzene

1,2-difluoro-3-(2,2-dimethoxypropyl)-4-nitrobenzene

1-(2,3-difluoro-6-nitrophenyl)propan-2-one

Cyclopropyl-(2-fluoro-4-nitro-3-thiomorpholin-4-yl-phenyl)-amine

Refernces

• 1、 Lipkind, M. B.,Nefedov, O. M.,Volchkov, N. V.. "Synthesis of fluorinated halonitrobenzenes and halonitrophenols using tetrafluoroethylene and buta-1,3-dienes as starting building blocks". . p. 2156 - 2163. Retrieved 2022/01/22.
• 2、 -. "Novel manufacturing method of fluoro-aryl compounds and derivatives thereof". Paragraph 0201-0205; 0232-0236. . Retrieved 2020/01/25.