1-Bromo-2-chloro-4,5-difluorobenzene

Base Information

• Chemical Name: 1-Bromo-2-chloro-4,5-difluorobenzene
• CAS No.: 59447-06-2
• Molecular Formula: C6H2BrClF2
• Molecular Weight: 227.436
• Hs Code.: 2903998090
• European Community (EC) Number: 611-828-2
• DSSTox Substance ID: DTXSID80378310
• Nikkaji Number: J911.583H
• Wikidata: Q82167861
• Mol file: 59447-06-2.mol

Synonyms:1-bromo-2-chloro-4,5-difluorobenzene;59447-06-2;1-bromo-2-chloro-4,5-difluoro-benzene;2-Chloro-4,5-difluorobromobenzene;Benzene, 1-bromo-2-chloro-4,5-difluoro-;SCHEMBL1759465;DTXSID80378310;OKGLKEDYKFGKOW-UHFFFAOYSA-N;MFCD00142586;Bromo-2-chloro-4,5-difluoro-benzene;AKOS022171796;1-Bromo-3,4-difluoro-6-chlorobenzene;AB91645;FS-5577;1-bromo-2-chloro-3,4-difluoro-benzene;CS-0157841;FT-0741076;E76239;EN300-1915018;A832326

Chemical Property of 1-Bromo-2-chloro-4,5-difluorobenzene

Chemical Property:

• Vapor Pressure: 0.542mmHg at 25°C
• Refractive Index: 1.528
• Boiling Point: 197.1 °C at 760 mmHg
• Flash Point: 73 °C
• PSA: 0.00000
• Density: 1.805 g/cm³
• LogP: 3.38070
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 225.89965
• Heavy Atom Count: 10
• Complexity: 122

Purity/Quality:

99% ^*data from raw suppliers

1-Bromo-2-chloro-4,5-difluorobenzene ^*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=C(C(=CC(=C1Cl)Br)F)F

Technology Process of 1-Bromo-2-chloro-4,5-difluorobenzene

There total 1 articles about 1-Bromo-2-chloro-4,5-difluorobenzene 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%

4-chloro-1,2-difluorobenzene (696-02-6) → 1-bromo-2-chloro-4,5-difluorobenzene (59447-06-2)

Guidance literature:

With 1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione; sulfuric acid; acetic acid; In water; at 12 - 50 ℃; for 3.7h;

Reference yield: 83.0%

1-bromo-2-chloro-4,5-difluorobenzene (59447-06-2) + acrylic acid (79-10-7) → (E)-3-(2-Chloro-4,5-difluoro-phenyl)-acrylic acid

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; potassium carbonate; In N,N-dimethyl-formamide; at 145 - 150 ℃; for 6h;

Reference yield:

1-bromo-2-chloro-4,5-difluorobenzene (59447-06-2) → 7-(2'-chloro-4',5'-difluoro-biphenyl-4-yloxymethyl)-benzo[d]isoxazol-3-ol (1299490-13-3)

Guidance literature:

Multi-step reaction with 3 steps

1: potassium carbonate / palladium⁽⁰⁾bis(tricyclohexylphosphine) / 1,4-dioxane; water / 4 h / 85 °C

2: potassium carbonate / N,N-dimethyl-formamide / 20 °C

3: hydrogenchloride / water; tetrahydrofuran; methanol / 2 h / Reflux

With hydrogenchloride; potassium carbonate; palladium⁽⁰⁾bis(tricyclohexylphosphine); In tetrahydrofuran; 1,4-dioxane; methanol; water; N,N-dimethyl-formamide;

upstream raw materials:

4-chloro-1,2-difluorobenzene

Downstream raw materials:

7-(2'-chloro-4',5'-difluoro-biphenyl-4-yloxymethyl)-benzo[d]isoxazol-3-ol

7-(2'-chloro-4',5'-difluoro-biphenyl-4-yloxymethyl)-3-trityloxy-benzo[d]isoxazole

Refernces

• 1、 -. "BENZISOXAZOLE ANALOGS AS GLYCOGEN SYNTHASE ACTIVATORS". Page/Page column 9-10. . Retrieved 2011/05/16.