4-Bromo-2-fluoro-6-nitrophenol

Base Information

• Chemical Name: 4-Bromo-2-fluoro-6-nitrophenol
• CAS No.: 320-76-3
• Molecular Formula: C6H3BrFNO3
• Molecular Weight: 235.997
• Hs Code.: 29089990
• European Community (EC) Number: 625-008-7
• DSSTox Substance ID: DTXSID90274152
• Wikidata: Q72456288
• Mol file: 320-76-3.mol

Synonyms:4-Bromo-2-fluoro-6-nitrophenol;320-76-3;Phenol, 4-bromo-2-fluoro-6-nitro-;MFCD00013372;ETHYL2-ETHOXYPROPIONATE;SCHEMBL752254;SCHEMBL16654498;4-bromo-2-fluoro 6-nitrophenol;4-bromo-6-fluoro-2-nitrophenol;AMY8765;DTXSID90274152;BBL101256;STL555052;AKOS005258104;CS-W006986;4-Bromo-2-fluoro-6-nitrophenol, 97%;AS-18289;SY064734;FT-0617766;EN300-314360;A821121;J-018625;J-514647

Chemical Property of 4-Bromo-2-fluoro-6-nitrophenol

Chemical Property:

• Appearance/Colour: white to light yellow crystal powder
• Vapor Pressure: 0.0232mmHg at 25°C
• Melting Point: 63-65 °C(lit.)
• Refractive Index: 1.623
• Boiling Point: 241.372 °C at 760 mmHg
• PKA: 4.83±0.38(Predicted)
• Flash Point: 99.779 °C
• PSA: 66.05000
• Density: 1.965 g/cm³
• LogP: 2.72520
• Storage Temp.: Keep in dark place,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:

98%,99%, ^*data from raw suppliers

4-Bromo-2-fluoro-6-nitrophenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,Xi
• Hazard Codes: Xn,Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1[N+](=O)[O-])O)F)Br
• Uses: 4-Bromo-2-fluoro-6-nitrophenol is used in preparation of Amino Pyrimidine compounds for inhibiting protein Tyrosine kinase activity.

Technology Process of 4-Bromo-2-fluoro-6-nitrophenol

There total 6 articles about 4-Bromo-2-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: 98.0%

4-bromo-2-fluorophenol (2105-94-4) → 2-fluoro-4-bromo-6-nitro-phenol (320-76-3)

Guidance literature:

With Nitrogen dioxide; In pentane; 35 min, 0 deg C then 20 min, room temperature;

Reference yield:

2-fluorophenol (367-12-4) → 2-fluoro-4-bromo-6-nitro-phenol (320-76-3)

Guidance literature:

Multi-step reaction with 4 steps

1: 49 percent / liquid nitrogen dioxide / pentane / 35 min, 0 deg C then 20 min, room temperature

2: 98.5 percent / hydrogen / 5percent Pd/C / ethyl acetate / 24 h / 760 Torr

3: 2., HBr, CuBr

4: 98 percent / liquide nitrogen dioxide / pentane / 35 min, 0 deg C then 20 min, room temperature

With hydrogen; Nitrogen dioxide; palladium on activated charcoal; In ethyl acetate; pentane;

Reference yield:

2-fluoro-4-nitrophenol (403-19-0) → 2-fluoro-4-bromo-6-nitro-phenol (320-76-3)

Guidance literature:

Multi-step reaction with 3 steps

1: 98.5 percent / hydrogen / 5percent Pd/C / ethyl acetate / 24 h / 760 Torr

2: 2., HBr, CuBr

3: 98 percent / liquide nitrogen dioxide / pentane / 35 min, 0 deg C then 20 min, room temperature

With hydrogen; Nitrogen dioxide; palladium on activated charcoal; In ethyl acetate; pentane;

upstream raw materials:

2,4-dibromo-6-fluorophenol

4-bromo-2-fluorophenol

acetic acid

2-fluorophenol

Downstream raw materials:

2-(4-bromo-2-fluoro-6-nitro-phenoxy)-N,N-diisopropyl-acetamide

6-bromo-8-fluoro-3,4-dihydro-2H-benzo[b][1,4]oxazine

5-Bromo-3-fluoro-2-hydroxyaniline

6-acetyl-8-fluoro-2H-1,4-benzoxazin-3(4H)-one

Refernces