5-Fluoro-2-iodonitrobenzene

Base Information

• Chemical Name: 5-Fluoro-2-iodonitrobenzene
• CAS No.: 364-77-2
• Molecular Formula: C6H3FINO2
• Molecular Weight: 266.998
• Hs Code.: 29049090
• European Community (EC) Number: 642-661-3
• DSSTox Substance ID: DTXSID30372005
• Nikkaji Number: J2.197.698I
• Wikidata: Q72473661
• Mol file: 364-77-2.mol

Synonyms:364-77-2;5-Fluoro-2-iodonitrobenzene;2-iodo-5-fluoronitrobenzene;4-fluoro-1-iodo-2-nitrobenzene;Benzene, 4-fluoro-1-iodo-2-nitro-;4-fluoro-2-nitroiodobenzene;2-Iodo-5-fluoronitrobenzene;4-Fluoro-1-iodo-2-nitrobenzene;MFCD00153169;SCHEMBL1041139;1-Iodo-2-nitro-4-fluorobenzene;DTXSID30372005;ANPFMDLUEWNKIM-UHFFFAOYSA-N;AKOS009157935;AC-9719;AM61928;CS-W012423;GS-6087;F0828;FT-0618441;A20692;EN300-248641;4-Fluoro-1-iodo-2-nitrobenzene, tech;4-Fluoro-1-iodo-2-nitro-benzene

Chemical Property of 5-Fluoro-2-iodonitrobenzene

Chemical Property:

• Appearance/Colour: clear, dark orange liquid
• Vapor Pressure: 0.00155mmHg at 25°C
• Refractive Index: 1.615
• Boiling Point: 277.2 °C at 760 mmHg
• Flash Point: 121.5 °C
• PSA: 45.82000
• Density: 2.093 g/cm³
• LogP: 2.86170
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Sensitive.: Light Sensitive
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 266.91925
• Heavy Atom Count: 11
• Complexity: 161

Purity/Quality:

98% ^*data from raw suppliers

5-Fluoro-2-iodonitrobenzene ^*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

Useful:

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

Technology Process of 5-Fluoro-2-iodonitrobenzene

There total 3 articles about 5-Fluoro-2-iodonitrobenzene 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%

4-fluoro-2-nitrobenzoic acid (394-01-4) → 4-fluoro-1-iodo-2-nitrobenzene (364-77-2)

Guidance literature:

With 2.9-dimethyl-1,10-phenanthroline; oxygen; copper (I) acetate; silver sulfate; sodium iodide; In dimethyl sulfoxide; at 160 ℃; for 24h; Schlenk technique;

Reference yield:

2-nitro-4-fluoroaniline (364-78-3) → 4-fluoro-1-iodo-2-nitrobenzene (364-77-2)

Guidance literature:

With sulfuric acid; Diazotization_.Umsetzen der Diazoniumsalz-Loesung mit Kaliumjodid-Loesung;

Reference yield:

2-nitro-4-fluoroaniline (364-78-3) → 4-fluoro-1-iodo-2-nitrobenzene (364-77-2) + 4-iodo-3-nitrophenol (113305-56-9)

Guidance literature:

With sulfuric acid; potassium iodide; sodium nitrite; Yield given. Multistep reaction. Yields of byproduct given; 1) water, 0-5 deg C, 4 h; 2) 80-85 deg C, 1.5 h;

upstream raw materials:

2-nitro-4-fluoroaniline

4-fluoro-2-nitrobenzoic acid

Downstream raw materials:

4-fluoro-2-nitrobenzonitrile

4-(dimethylamino)-2-nitrobenzonitrile

(2R,5S)-2,5-dihydro-3,6-dimethoxy-2-(2-(4-fluoro-2-nitrophenyl)-2-propen-1-yl)-5-(1-methylethyl)pyrazine

8-fluoro-10-nitro-3-phenyl-5,6-dihydroimidazo[5,1-a]isoquinoline

Refernces

• 1、 Danel, Andrzej,Wojtasik, Katarzyna,Szlachcic, Pawe?,Gryl, Marlena,Stadnicka, Katarzyna. "A new regiospecific synthesis method of 1H-pyrazolo[3,4-b]quinoxalines – Potential materials for organic optoelectronic devices, and a revision of an old scheme". . p. 5072 - 5081. Retrieved 2017/07/28.
• 2、 Fu, Zhengjiang,Li, Zhaojie,Song, Yuanyuan,Yang, Ruchun,Liu, Yanzhu,Cai, Hu. "Decarboxylative Halogenation and Cyanation of Electron-Deficient Aryl Carboxylic Acids via Cu Mediator as Well as Electron-Rich Ones through Pd Catalyst under Aerobic Conditions". . p. 2794 - 2803. Retrieved 2016/04/26.