1,2,3,5-Tetrafluoro-4-nitrobenzene

Base Information

• Chemical Name: 1,2,3,5-Tetrafluoro-4-nitrobenzene
• CAS No.: 314-41-0
• Molecular Formula: C6HF4NO2
• Molecular Weight: 195.073
• Hs Code.: 2904909090
• European Community (EC) Number: 206-246-7
• UNII: SU82FD6B27
• DSSTox Substance ID: DTXSID3075387
• Nikkaji Number: J193.731F
• Wikidata: Q72505202
• Mol file: 314-41-0.mol

Synonyms:2,3,4,6-Tetrafluoronitrobenzene;314-41-0;1,2,3,5-Tetrafluoro-4-nitrobenzene;Benzene, 1,2,3,5-tetrafluoro-4-nitro-;C6HF4NO2;MFCD00011687;SU82FD6B27;EINECS 206-246-7;1,2,3,5-tetrafluoro-4-nitro-benzene;UNII-SU82FD6B27;SCHEMBL345622;DTXSID3075387;AMY14255;BCP24590;BBL102219;STL556018;AKOS015853424;CS-W005905;GS-6077;1,2,3,5-Tetrafluoro-4-nitrobenzene #;SY103914;2,3,4,6-Tetrafluoronitrobenzene, >=97%;FT-0609362;2,3,4,6-TETRAFLUORO-1-NITROBENZENE;A820857;J-018432

Chemical Property of 1,2,3,5-Tetrafluoro-4-nitrobenzene

Chemical Property:

• Appearance/Colour: yellow liquid
• Vapor Pressure: 0.007mmHg at 25°C
• Melting Point: -5
• Refractive Index: n20/D 1.464(lit.)
• Boiling Point: 218.988 °C at 760 mmHg
• Flash Point: 86.241 °C
• PSA: 45.82000
• Density: 1.652 g/cm³
• LogP: 2.67440
• Storage Temp.: 2-8°C
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 194.99434092
• Heavy Atom Count: 13
• Complexity: 209

Purity/Quality:

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

2,3,4,6-Tetrafluoronitrobenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=C(C(=C(C(=C1F)F)F)[N+](=O)[O-])F

Technology Process of 1,2,3,5-Tetrafluoro-4-nitrobenzene

There total 2 articles about 1,2,3,5-Tetrafluoro-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: 89.0%

1,2,3,5-tetrafluorobenzene (2367-82-0) → 1,2,3,5-tetrafluoro-4-nitrobenzene (314-41-0)

Guidance literature:

With 2CF₃SO₃H-B(OSO₂CF₃)3; nitric acid; at 20 ℃; for 3h;

DOI:10.1021/jo00127a048

Reference yield:

→ 1,2,3,5-tetrafluoro-4-nitrobenzene (314-41-0)

Guidance literature:

Reference yield: 95.0%

1,2,3,5-tetrafluoro-4-nitrobenzene (314-41-0) → 2,3,5-trifluoro-6-nitroaniline (5415-62-3)

Guidance literature:

With ammonia; In diethyl ether;

DOI:10.1016/S0022-1139(00)82667-6

upstream raw materials:

1,2,3,5-tetrafluorobenzene

Downstream raw materials:

1,2,5-Trifluor-3-methoxy-4-nitrobenzol

1,3,4-trifluoro-5-methoxy-2-nitrobenzene

1-bromo-2,3,4,6-tetrafluoro-5-nitrobenzene

1,2,3,5-tetrafluoro-4-iodo-6-nitrobenzene

Refernces

• 1、 -. "HETEROCYCLIC SULFONAMIDE DERIVATIVES". Page/Page column 11. . Retrieved 2013/02/27.
• 2、 Olah,Orlinkov,Ramaiah,Oxyzoglou,Prakash. "Chemistry of superacids: 35. * NO2Cl-3MXN systems: Superelectrophilic aprotic nitrating agents for deactivated aromatics". . p. 924 - 927. Retrieved 2007/10/03.