4-Bromo-2,6-difluoroiodobenzene

Base Information

• Chemical Name: 4-Bromo-2,6-difluoroiodobenzene
• CAS No.: 160976-02-3
• Molecular Formula: C6H2BrF2I
• Molecular Weight: 318.887
• Hs Code.: 2903999090
• European Community (EC) Number: 678-230-1
• DSSTox Substance ID: DTXSID70382224
• Nikkaji Number: J2.651.180A
• Wikidata: Q72454374
• Mol file: 160976-02-3.mol

Synonyms:5-Bromo-1,3-difluoro-2-iodobenzene;160976-02-3;4-bromo-2,6-difluoroiodobenzene;2,6-difluoro-4-bromoiodobenzene;1-Bromo-3,5-difluoro-4-iodobenzene;Benzene, 5-bromo-1,3-difluoro-2-iodo-;5-bromo-1,3-difluoro-2-iodo-benzene;MFCD01861126;4-bromo-2,6 difluoro-1-iodobenzene;2,6-Difluoro-4-Bromo Iodobenzene;SCHEMBL6687144;DTXSID70382224;NLWAKVGODLJALJ-UHFFFAOYSA-N;2.6-difluoro-4-bromo iodobenzene;BBL100574;STL554368;4-bromo-2,6-difluoro-1-iodobenzene;AKOS005254968;AM61337;CS-W012011;DS-1698;SY017079;B3058;FT-0746828;EN300-646253;A810211

Chemical Property of 4-Bromo-2,6-difluoroiodobenzene

Chemical Property:

• Vapor Pressure: 0.0742mmHg at 25°C
• Melting Point: 40-41°C
• Refractive Index: 1.604
• Boiling Point: 236.057 °C at 760 mmHg
• Flash Point: 96.564 °C
• PSA: 0.00000
• Density: 2.343 g/cm³
• LogP: 3.33190
• Storage Temp.: Room temperature.
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 317.83527
• Heavy Atom Count: 10
• Complexity: 110

Purity/Quality:

98% ^*data from raw suppliers

5-Bromo-1,3-difluoro-2-iodobenzene ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1F)I)F)Br

Technology Process of 4-Bromo-2,6-difluoroiodobenzene

There total 1 articles about 4-Bromo-2,6-difluoroiodobenzene 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: 82.0%

3,5-difluorobromobenzene (461-96-1) → 5-bromo-1,3-difluoro-2-iodo-benzene (160976-02-3)

Guidance literature:

With n-butyllithium; iodine; diisopropylamine; In tetrahydrofuran; hexane; at -75 ℃; for 2h;

DOI:10.1002/hlca.200390217

Reference yield: 88.0%

C7H2BrF5O + 5-bromo-1,3-difluoro-2-iodo-benzene (160976-02-3) → 4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1-bromo-3,5-difluorobenzene (511540-64-0)

Guidance literature:

With copper; In dimethyl sulfoxide; at 80 ℃; for 24h; Reagent/catalyst; Solvent; Temperature;

Reference yield: 82.0%

2-Methoxyphenylboronic acid (5720-06-9) + 5-bromo-1,3-difluoro-2-iodo-benzene (160976-02-3) → C13H9BrF2O

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate; In 1,4-dioxane; water; for 24h; Reflux;

upstream raw materials:

3,5-difluorobromobenzene

Downstream raw materials:

5-(4-brom-2,6-difluoro-phenyl)-oxazole

3,5-difluoro-4-oxazol-5-yl-benzoic acid methyl ester

3,5-difluoro-4-oxazol-5-yl-benzoic acid

Refernces

• 1、 Unsinn, Andreas,Rohbogner, Christoph J.,Knochel, Paul. "Directed magnesiation of polyhaloaromatics using the tetramethylpiperidylmagnesium reagents TMP2Mg×2 LiCl and TMPMgCl×LiCl". supporting information. p. 1553 - 1560. Retrieved 2013/06/27.