4-Bromo-1-fluoro-2-iodobenzene

Base Information

• Chemical Name: 4-Bromo-1-fluoro-2-iodobenzene
• CAS No.: 116272-41-4
• Molecular Formula: C6H3BrFI
• Molecular Weight: 300.897
• Hs Code.: 2903999090
• European Community (EC) Number: 687-956-8
• DSSTox Substance ID: DTXSID90382266
• Nikkaji Number: J3.484.456I
• Wikidata: Q72483630
• Mol file: 116272-41-4.mol

Synonyms:4-bromo-1-fluoro-2-iodobenzene;116272-41-4;3-iodo-4-fluorobromobenzene;5-bromo-2-fluoroiodobenzene;1-bromo-4-fluoro-3-iodobenzene;Benzene, 4-bromo-1-fluoro-2-iodo-;MFCD07368751;4-fluoro-3-iodobromobenzene;4-bromo-1-fluoro-2-iodo-benzene;2-fluoro-5-bromoiodobenzene;5-bromo-2-fluoro-iodobenzene;SCHEMBL933399;DTXSID90382266;JNETZJWWXCLUKM-UHFFFAOYSA-N;AKOS005063923;AC-9672;AM61264;GS-3539;Dibenzo-b,f1,4thiazepin-11(10H)-one;SY024316;A1485;CS-0030548;FT-0642829;EN300-154550

Chemical Property of 4-Bromo-1-fluoro-2-iodobenzene

Chemical Property:

• Vapor Pressure: 0.0405mmHg at 25°C
• Refractive Index: 1.628
• Boiling Point: 247.4 °C at 760 mmHg
• Flash Point: 103.4 °C
• PSA: 0.00000
• Density: 2.281 g/cm³
• LogP: 3.19280
• Storage Temp.: Room temperature.
• Sensitive.: Light Sensitive
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 299.84469
• Heavy Atom Count: 9
• Complexity: 99.1

Purity/Quality:

98% ^*data from raw suppliers

4-Bromo-1-fluoro-2-iodobenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Br)I)F

Technology Process of 4-Bromo-1-fluoro-2-iodobenzene

There total 2 articles about 4-Bromo-1-fluoro-2-iodobenzene 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: 76.0%

5-bromo-2-fluoroaniline (2924-09-6) → 4-bromo-1-fluoro-2-iodobenzene (116272-41-4)

Guidance literature:

5-bromo-2-fluoroaniline; With hydrogenchloride; sodium nitrite; In water; at -20 ℃; for 0.333333h; Inert atmosphere;

With potassium iodide; In water; for 0.5h; Inert atmosphere;

Reference yield:

5-bromo-2-fluorobenzenediazonium sulphate + sulfuric acid (7664-93-9) + 5-bromo-2-fluoroaniline (2924-09-6) → 4-bromo-1-fluoro-2-iodobenzene (116272-41-4)

Guidance literature:

With potassium iodide; sodium nitrite; In water;

Reference yield: 92.0%

4-bromo-1-fluoro-2-iodobenzene (116272-41-4) + oxalic acid diethyl ester (95-92-1) → ethyl 2-(5-bromo-2-fluorophenyl)-2-oxoacetate (668969-68-4)

Guidance literature:

4-bromo-1-fluoro-2-iodobenzene; With isopropylmagnesium chloride; In tetrahydrofuran; at -40 - -30 ℃;

oxalic acid diethyl ester; In tetrahydrofuran; at -70 - -10 ℃; for 1h;

With hydrogenchloride; In tetrahydrofuran; water; Cooling;

upstream raw materials:

sulfuric acid

5-bromo-2-fluoroaniline

Downstream raw materials:

5-bromo-2-fluorophenyl phenyl ether

2-(allyloxy)-1-(5-bromo-2-fluorophenyl)ethan-1-one

(R)-3-amino-3-(5-bromo-2-fluoro-phenyl)-2-methyl-butan-2-ol

N-[(R)-1-(5-bromo-2-fluoro-phenyl)-2-hydroxy-1,2-dimethyl-propyl]-2-chloro-acetamide

Refernces

• 1、 -. "ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE ELEMENT USING SAME". Paragraph 0130; 0131. . Retrieved 2015/11/11.