2-Bromo-3-fluoro-6-nitrophenol

Base Information

• Chemical Name: 2-Bromo-3-fluoro-6-nitrophenol
• CAS No.: 103979-08-4
• Molecular Formula: C6H3BrFNO3
• Molecular Weight: 235.997
• Hs Code.: 2908999090
• European Community (EC) Number: 852-806-4
• DSSTox Substance ID: DTXSID40547868
• Wikidata: Q82426376
• Mol file: 103979-08-4.mol

Synonyms:2-Bromo-3-fluoro-6-nitrophenol;103979-08-4;2-Bromo-1-fluoro-3-hydroxy-4-nitrobenzene;MFCD18071060;Phenol, 2-bromo-3-fluoro-6-nitro-;3-Bromo-4-fluoro-2-hydroxy-1-nitrobenzene;SCHEMBL10835047;DTXSID40547868;AVUSAMCYDUMVNY-UHFFFAOYSA-N;AKOS025286041;DS-9239;3-Bromo-4-fluoro-2-hydroxynitrobenzene, 2-Bromo-1-fluoro-3-hydroxy-4-nitrobenzene;s10817;SY111311;CS-0041716;EN300-316045;A896322

Chemical Property of 2-Bromo-3-fluoro-6-nitrophenol

Chemical Property:

• PSA: 66.05000
• LogP: 2.72520
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 234.92803
• Heavy Atom Count: 12
• Complexity: 186

Purity/Quality:

97% ^*data from raw suppliers

2-Bromo-1-fluoro-3-hydroxy-4-nitrobenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1[N+](=O)[O-])O)Br)F

Technology Process of 2-Bromo-3-fluoro-6-nitrophenol

There total 2 articles about 2-Bromo-3-fluoro-6-nitrophenol 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: 93.0%

2-bromo-1,3-difluoro-4-nitrobenzene (103977-78-2) → 2-bromo-3-fluoro-6-nitrophenol (103979-08-4)

Guidance literature:

With potassium hydroxide; In water; dimethyl sulfoxide;

Reference yield:

1-bromo-2,6-difluorobenzene (64248-56-2) → 2-bromo-3-fluoro-6-nitrophenol (103979-08-4)

Guidance literature:

Multi-step reaction with 2 steps

1: sulfuric acid; nitric acid / 0.5 h / 20 - 55 °C

2: potassium hydroxide / water; dimethyl sulfoxide / 20 - 30 °C

With sulfuric acid; nitric acid; potassium hydroxide; In water; dimethyl sulfoxide;

Reference yield: 85.0%

2-bromo-3-fluoro-6-nitrophenol (103979-08-4) + chloroacetone (78-95-5) → 1-(2-bromo-3-fluoro-6-nitrophenoxy)acetone (103979-09-5)

Guidance literature:

With potassium carbonate; sodium iodide; In acetone; Reflux;

upstream raw materials:

2-bromo-1,3-difluoro-4-nitrobenzene

1-bromo-2,6-difluorobenzene

Downstream raw materials:

1-(2-bromo-3-fluoro-6-nitrophenoxy)acetone