4-Fluoro-3-nitrobenzotrifluoride

Base Information

• Chemical Name: 4-Fluoro-3-nitrobenzotrifluoride
• CAS No.: 367-86-2
• Molecular Formula: C7H3F4NO2
• Molecular Weight: 209.1
• Hs Code.: 29049090
• European Community (EC) Number: 206-702-5
• NSC Number: 10303
• UNII: SFN4U7RYL9
• DSSTox Substance ID: DTXSID5073169
• Nikkaji Number: J193.882G
• Wikidata: Q72475298
• Mol file: 367-86-2.mol

Synonyms:1-fluoro-2-nitro-4-(trifluoromethyl)benzene;3-Nitro-alpha,alpha,alpha,4-tetrafluorotoluene;3-nitro-4-fluoro trifluorotoluene;3-Nitro-4-Fluorobenzotrifluoride;4-fluoro-2-nitrobenzotrifluoride;4-Fluoro-3-Nitrobenzotrifluoride, 96%;3-nitro-4-fluorotrifluorotoluol;

Chemical Property of 4-Fluoro-3-nitrobenzotrifluoride

Chemical Property:

• Appearance/Colour: clear yellow liquid
• Vapor Pressure: 0.00941mmHg at 25°C
• Refractive Index: n20/D 1.462(lit.)
• Boiling Point: 209.6 °C at 760 mmHg
• Flash Point: 33.3 °C
• PSA: 45.82000
• Density: 1.504 g/cm³
• LogP: 3.27590
• Storage Temp.: Flammables area
• Water Solubility.: Insoluble in water.
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 209.00999099
• Heavy Atom Count: 14
• Complexity: 225

Purity/Quality:

≥99% ^*data from raw suppliers

4-Fluoro-3-nitrobenzotrifluoride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,F
• Hazard Codes: Xi,F
• Statements: 10-36/37/38
• Safety Statements: 26-24/25-16

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])F
• Uses: 4-Fluoro-3-nitrobenzotrifluoride is used in the pre-column derivatization technique for HPLC with UV/VIS spectrophotometric detection of polyamines. It may be used as derivatization reagent for the HPLC determination of polyamines. It was also used in the synthesis of 2-nitro-4-trifluoromethylphenylhydrazine, derivatization reagent for 1,2-diol compounds and oxo-steroids. ? [3-(2-nitro-4-trifluoromethylphenyl)aminophenyl]dihydroxyborane, derivatization reagent for 1,2-diol compounds and oxo-steroids3 ? 1-(3-chlorophenyl)-5-trifluoromethyl-3-hydrobenzimidazol-2-one 4-Fluoro-3-nitrobenzotrifluoride was used in pre-column derivatization technique for HPLC with UV/VIS spectrophotometric detection of polyamines. It was also used in the synthesis of:2-nitro-4-trifluoromethylphenylhydrazine, derivatization reagent for 1,2-diol compounds and oxo-steroids[3-(2-nitro-4-trifluoromethylphenyl)aminophenyl]dihydroxyborane, derivatization reagent for 1,2-diol compounds and oxo-steroids1-(3-chlorophenyl)-5-trifluoromethyl-3-hydrobenzimidazol-2-one

Technology Process of 4-Fluoro-3-nitrobenzotrifluoride

There total 7 articles about 4-Fluoro-3-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: 80.0%

2-chloro-3-nitro-5-trifluoromethylbenzene (121-17-5) → 1-fluoro-2-nitro-4-trifluoromethyl-benzene (367-86-2)

Guidance literature:

With potassium fluoride; tetramethlyammonium chloride; In sulfolane; at 130 ℃; for 3h;

DOI:10.1021/jo00022a037

Reference yield:

2-chloro-3-nitro-5-trifluoromethylbenzene (121-17-5) → 1-fluoro-2-nitro-4-trifluoromethyl-benzene (367-86-2) + 1,2-difluoro-4-(trifluoromethyl)benzene (32137-19-2) + 2-methoxy-5-nitrobenzotrifluoride (394-25-2) + N,N-dimethyl-2-nitro-4-(trifluoromethyl)aniline (40700-38-7) + 2-nitro-4-trifluoromethylphenol (400-99-7) + C14H6F7NO3

Guidance literature:

With potassium fluoride; tetramethlyammonium chloride; In sulfolane; at 180 ℃;

DOI:10.1021/jo00022a037

Reference yield:

4-Fluorobenzotrifluoride (402-44-8) → 1-fluoro-2-nitro-4-trifluoromethyl-benzene (367-86-2)

Guidance literature:

With sulfuric acid; nitric acid; at 50 - 60 ℃;

DOI:10.1021/ja01604a022

upstream raw materials:

4-Fluorobenzotrifluoride

2-chloro-3-nitro-5-trifluoromethylbenzene

p-fluorotoluene

4-fluoro-1-trichloromethylbenzene

Downstream raw materials:

2-fluoro-5-(trifluoromethyl)aniline

2-methoxy-5-nitrobenzotrifluoride

Refernces

• 1、 Maggini, Michele,Passudetti, Margherita,Gonzales-Trueba, Guadalupe,Prato, Maurizio,Quintily, Ugo,Scorrano, Gianfranco. "A General Procedure for the Fluorodenitration of Aromatic Substrates". . p. 6406 - 6411. Retrieved 2007/10/02.
• 2、 -. "Process for the preparation substituted anilino acids". . . Retrieved 2008/06/13.