1-Bromo-2-fluoro-3-iodobenzene

Base Information

• Chemical Name: 1-Bromo-2-fluoro-3-iodobenzene
• CAS No.: 958458-89-4
• Molecular Formula: C₆H₃BrFI
• Molecular Weight: 300.897
• Hs Code.: 2903998090
• European Community (EC) Number: 856-848-4
• DSSTox Substance ID: DTXSID80597726
• Wikidata: Q82493364
• Mol file: 958458-89-4.mol

Synonyms:1-bromo-2-fluoro-3-iodobenzene;958458-89-4;3-Bromo-2-fluoroiodobenzene;MFCD13194483;SCHEMBL8846834;DTXSID80597726;AKOS027386430;DS-18698;SY118598;DB-201651;CS-0030439;EN300-137236;A905484;Z1269161863

Chemical Property of 1-Bromo-2-fluoro-3-iodobenzene

Chemical Property:

• Boiling Point: 248.8±25.0 °C(Predicted)
• Density: 2.281±0.06 g/cm3(Predicted)
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• 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

1-Bromo-2-fluoro-3-iodobenzene 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 1-Bromo-2-fluoro-3-iodobenzene

There total 1 articles about 1-Bromo-2-fluoro-3-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: 70.0%

3-bromo-2-fluorobenzenamine (58534-95-5) → 1-bromo-2-fluoro-3-iodobenzene (958458-89-4)

Guidance literature:

3-bromo-2-fluorobenzenamine; With hydrogenchloride; sodium nitrite; In water; acetonitrile; at 0 - 5 ℃; for 1h; Inert atmosphere;

With potassium iodide; In water; acetonitrile; at 0 - 20 ℃; Inert atmosphere;

DOI:10.1016/j.tetlet.2020.152663

upstream raw materials:

3-bromo-2-fluorobenzenamine