5-Bromo-2,4-difluorophenol

Base Information

• Chemical Name: 5-Bromo-2,4-difluorophenol
• CAS No.: 355423-48-2
• Molecular Formula: C6H3BrF2O
• Molecular Weight: 208.99
• Hs Code.: 2908190090
• European Community (EC) Number: 823-486-3
• DSSTox Substance ID: DTXSID90431465
• Wikidata: Q82245356
• Mol file: 355423-48-2.mol

Synonyms:5-Bromo-2,4-difluorophenol;355423-48-2;5-bromo-2,4-difluoro-phenol;MFCD20231458;SCHEMBL2916768;DTXSID90431465;ZLUWZDGMZGVBGM-UHFFFAOYSA-N;AMY17193;AKOS015908276;PS-10217;SY268950;CS-0116218;FT-0700894;D79198;EN300-220385

Chemical Property of 5-Bromo-2,4-difluorophenol

Chemical Property:

• Boiling Point: 210.8±35.0 °C(Predicted)
• PKA: 7.77±0.23(Predicted)
• PSA: 20.23000
• Density: 1.858±0.06 g/cm3(Predicted)
• LogP: 2.43290
• Storage Temp.: 2-8°C
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 207.93353
• Heavy Atom Count: 10
• Complexity: 122

Purity/Quality:

98% ^*data from raw suppliers

5-Bromo-2,4-difluorophenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 5-Bromo-2,4-difluorophenol

There total 2 articles about 5-Bromo-2,4-difluorophenol 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: 100.0%

bis(5-bromo-2,4-difluorophenyl) carbonate (355423-44-8) → 2,4-difluoro-5-bromophenol (355423-48-2)

Guidance literature:

bis(5-bromo-2,4-difluorophenyl) carbonate; With sodium hydroxide; In methanol; water; at 0 ℃; for 1h;

With hydrogenchloride; In methanol; diethyl ether; water;

Reference yield:

1,5-dibromo-2,4-difluorobenzene (28342-75-8) → 2,4-difluoro-5-bromophenol (355423-48-2)

Guidance literature:

1,5-dibromo-2,4-difluorobenzene; With isopropylmagnesium chloride; In tetrahydrofuran; at -20 - 0 ℃; for 0.5h;

With Trimethyl borate; In tetrahydrofuran; at 20 ℃; for 1h;

With peracetic acid; In tetrahydrofuran; at -20 - 20 ℃; for 0.5h;

Reference yield: 86.0%

2,4-difluoro-5-bromophenol (355423-48-2) + allyl bromide (106-95-6) → 1-(allyloxy)-5-bromo-2,4-difluorobenzene

Guidance literature:

In N,N-dimethyl-formamide; at 60 ℃; for 2h; Inert atmosphere;

DOI:10.1016/j.bmcl.2021.127904

upstream raw materials:

bis(5-bromo-2,4-difluorophenyl) carbonate

1,5-dibromo-2,4-difluorobenzene

Downstream raw materials:

1-bromo-2,4-difluoro-5-methoxybenzene

Refernces

• 1、 -. "6-(Poly-substituted aryl)-4-aminopicolinates and their use as herbicides". Page/Page column 14. . Retrieved 2008/06/13.