5-Fluoro-2-nitrobenzotrifluoride

Base Information

• Chemical Name: 5-Fluoro-2-nitrobenzotrifluoride
• CAS No.: 393-09-9
• Molecular Formula: C7H3F4NO2
• Molecular Weight: 209.1
• Hs Code.: 2904909090
• NSC Number: 10304
• DSSTox Substance ID: DTXSID00278843
• Nikkaji Number: J1.915.670B
• Wikidata: Q72475307
• Mol file: 393-09-9.mol

Synonyms:5-Fluoro-2-nitrobenzotrifluoride;393-09-9;4-Fluoro-1-nitro-2-(trifluoromethyl)benzene;2-Nitro-alpha,alpha,alpha,5-tetrafluorotoluene;1-FLUORO-3-TRIFLUOROMETHYL-4-NITROBENZENE;2-nitro-5-fluorobenzotrifluoride;BENZENE, 4-FLUORO-1-NITRO-2-(TRIFLUOROMETHYL)-;2-trifluoromethyl-4-fluoronitrobenzene;393-86-2;4-fluoro-2-(trifluoromethyl)nitrobenzene;NSC10304;MFCD00039741;SCHEMBL377777;SCHEMBL14234054;WMQOSURXFLBTPC-UHFFFAOYSA-;AMY8814;DTXSID00278843;5-fluoro-2-nitrobenzo-trifluoride;5-Fluoro-2-nitrobenzotrifluorIide;NSC-10304;3-trifluoromethyl-4-nitrofluorobenzene;AKOS015889953;CS-W015174;4-fluoro-6-trifluoromethyl nitrobenzene;5-fluoro-2-nitro-trifluoromethylbenzene;5-Fluoro-2-nitrobenzotrifluoride, 99%;AS-12339;4-Fluoro-1-nitro-2-trifluoromethyl-benzene;4-Fluoro-1-nitro-2-trifluoromethyl-benz ene;A6582;BB 0258865;F0497;FT-0620407;4-fluoro-1 -nitro-2-(trifluoromethyl)benzene;4-fluoranyl-1-nitro-2-(trifluoromethyl)benzene;EN300-118944;A824516;J-517524

Chemical Property of 5-Fluoro-2-nitrobenzotrifluoride

Chemical Property:

• Appearance/Colour: clear yellow liquid after melting
• Vapor Pressure: 0.506mmHg at 25°C
• Melting Point: 23 ºC
• Refractive Index: n20/D 1.46(lit.)
• Boiling Point: 198-199 ºC
• Flash Point: 88 ºC
• PSA: 45.82000
• Density: 1.497
• LogP: 3.27590
• Storage Temp.: Refrigerator
• Solubility.: Soluble in chloroform and methanol.
• XLogP3: 3.3
• 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

5-Fluoro-2-nitrobenzotrifluoride ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi,F
• Statements: 36/37/38
• Safety Statements: 26-36/37/39-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1F)C(F)(F)F)[N+](=O)[O-]
• Uses: 5-Fluoro-2-nitrobenzotrifluoride is a tri-substitiuted benzene derivative used in the preparation of androgen receptor modulators and other pharmaceutical compounds. 5-Fluoro-2-nitrobenzotrifluoride may be used as monomer in the synthesis of hyperbranched poly(aryl ether). Also used in the preparation of androgen receptor modulators and other pharmaceutical compounds. 5-Fluoro-2-nitrobenzotrifluoride may be used as monomer in the synthesis of hyperbranched poly(aryl ether).

Technology Process of 5-Fluoro-2-nitrobenzotrifluoride

There total 4 articles about 5-Fluoro-2-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: 72.0%

3-fluoro-trifluoromethylbenzene (401-80-9) → 4-fluoro-1-nitro-2-trifluoromethyl-benzene (393-09-9)

Guidance literature:

With sulfuric acid; nitric acid; 1) 30-35 deg C 2) 15 min, 60 deg C;

DOI:10.1002/ardp.19903230206

Reference yield:

→ 4-fluoro-1-nitro-2-trifluoromethyl-benzene (393-09-9)

Guidance literature:

Thermolysis;

DOI:10.1021/ja01239a056

Reference yield:

3-fluoro-trifluoromethylbenzene (401-80-9) + nitric acid (7697-37-2,78989-43-2) → 4-fluoro-1-nitro-2-trifluoromethyl-benzene (393-09-9)

Guidance literature:

upstream raw materials:

3-fluoro-trifluoromethylbenzene

nitric acid

sulfuric acid

Downstream raw materials:

7-[4-nitro-3-(trifluoromethyl) phenyl]-7-azabicyclo[2.2.1]heptane

1,1-dimethylethyl-(3S)-3-{[4-nitro-3-(trifluoromethyl)phenyl]amino}-1-pyrrolidinecarboxylate

(±)-methyl 2-[4-nitro-3-(trifluoromethyl)phenyl]propanoate

Refernces