2,6-Difluoro-4-nitrophenol

Base Information

• Chemical Name: 2,6-Difluoro-4-nitrophenol
• CAS No.: 658-07-1
• Molecular Formula: C6H3F2NO3
• Molecular Weight: 175.092
• Hs Code.: 2908999090
• DSSTox Substance ID: DTXSID00344890
• Nikkaji Number: J1.295.793I
• Wikidata: Q72463555
• Mol file: 658-07-1.mol

Synonyms:2,6-Difluoro-4-nitrophenol;658-07-1;2,6-Difluoro-4-nitro-phenol;Phenol, 2,6-difluoro-4-nitro-;MFCD07366521;2.6-Difluoro-4-nitrophenol;4-nitro-2,6-difluoro-phenol;SCHEMBL1137222;2,6-Difluoro-4-nitrophenol #;DTXSID00344890;2 pound not6-Difluoro-4-nitro-phenol;AKOS006228826;AC-7729;CS-W006721;GS-4096;SY038662;AM20040968;FT-0647234;A835234;J-507474

Chemical Property of 2,6-Difluoro-4-nitrophenol

Chemical Property:

• Vapor Pressure: 0.0107mmHg at 25°C
• Melting Point: 99.7-100.7°C
• Refractive Index: 1.554
• Boiling Point: 254.5 °C at 760 mmHg
• PKA: 4.28±0.44(Predicted)
• Flash Point: 107.7 °C
• PSA: 66.05000
• Density: 1.619 g/cm³
• LogP: 2.10180
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 175.00809928
• Heavy Atom Count: 12
• Complexity: 172

Purity/Quality:

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

2,6-Difluoro-4-nitrophenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1F)O)F)[N+](=O)[O-]

Technology Process of 2,6-Difluoro-4-nitrophenol

There total 6 articles about 2,6-Difluoro-4-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: 96.0%

2,6-difluorophenol (28177-48-2) → 2,6-Difluoro-4-nitrophenol (658-07-1)

Guidance literature:

With nitric acid; In acetic acid; at 15 - 20 ℃;

DOI:10.1021/jm980435l

Reference yield: 71.0%

4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) → 2-fluoro-4-nitrophenol (403-19-0) + 2,6-Difluoro-4-nitrophenol (658-07-1)

Guidance literature:

With fluorine; In formic acid; at 0 - 10 ℃;

DOI:10.1016/j.jfluchem.2006.09.010

Reference yield: 51.0%

2,6-difluorophenol (28177-48-2) + ethyl acetate (141-78-6) → 2,6-Difluoro-4-nitrophenol (658-07-1)

Guidance literature:

With nitric acid; In hexane; acetic acid;

upstream raw materials:

4-nitro-phenol

2,6-difluorophenol

ethyl acetate

2,6-difluoroaniline

Downstream raw materials:

1,3-difluoro-2-methoxy-5-nitrobenzene

4-(1-t-butoxycarbonylpiperidin-4-yloxy)-3,5-difluoronitrobenzene

1-(3,5-difluoro-4-((6-(methylamino)pyrimidin-4-yl)oxy)phenyl)-3-(3-(trifluoromethyl)phenyl)urea

N-{4-[(6-chloro-4-pyrimidinyl)oxy]-3,5-difluorophenyl}-N'-[3-(trifluoromethyl)phenyl]urea

Refernces

• 1、 -. "SUBSTITUTED PYRROLOPYRIDINE-DERIVATIVES". Page/Page column 58. . Retrieved 2020/07/07.
• 2、 -. "Method for preparing 2,6-difluoroindophenol acetate". Paragraph 0014; 0016. . Retrieved 2019/03/28.