5-Fluoro-2-nitrophenol

Base Information

• Chemical Name: 5-Fluoro-2-nitrophenol
• CAS No.: 446-36-6
• Molecular Formula: C6H4FNO3
• Molecular Weight: 157.101
• Hs Code.: 29089000
• European Community (EC) Number: 207-168-6
• NSC Number: 10284
• UNII: 6E7F47EK4J
• DSSTox Substance ID: DTXSID40196239
• Nikkaji Number: J196.143H
• Wikidata: Q72475355
• Mol file: 446-36-6.mol

Synonyms:5-FLUORO-2-NITROPHENOL;446-36-6;2-Nitro-5-Fluorophenol;3-Fluoro-6-nitrophenol;Phenol, 5-fluoro-2-nitro-;6E7F47EK4J;EINECS 207-168-6;NSC 10284;NSC-10284;5-Fluoro-2-nitro-phenol;MFCD00007107;3-fluoro 6-nitrophenol;5-flouro-2-nitrophenol;2-nitro-5-fluoro-phenol;3-fluoro 6-nitro phenol;5-fluoro-2-nitro phenol;UNII-6E7F47EK4J;SCHEMBL39862;2-hydroxy-4-fluoronitrobenzene;5-Fluoro-2-nitrophenol, 99%;DTXSID40196239;4-fluoro-2-hydroxy-1-nitrobenzene;NSC10284;BBL011551;STL146685;AKOS000120905;AB00840;AC-2472;CS-W008895;AS-13222;A1702;AM20040493;F0224;FT-0612034;FT-0652042;EN300-20009;W-106182;F0001-1216;Z104476374

Chemical Property of 5-Fluoro-2-nitrophenol

Chemical Property:

• Appearance/Colour: white to light yellow crystal powder
• Vapor Pressure: 0.0486mmHg at 25°C
• Melting Point: 34-37 °C(lit.)
• Boiling Point: 228.5 °C at 760 mmHg
• PKA: 6.18±0.13(Predicted)
• Flash Point: 91.7 °C
• PSA: 66.05000
• Density: 1.511 g/cm³
• LogP: 1.96270
• Storage Temp.: Inert atmosphere,Room Temperature
• Water Solubility.: slightly soluble
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 157.01752115
• Heavy Atom Count: 11
• Complexity: 158

Purity/Quality:

98% ^*data from raw suppliers

5-Fluoro-2-nitrophenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn, Xi
• Hazard Codes: Xn,Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37-36/37/39-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=C(C=C1F)O)[N+](=O)[O-]
• Uses: 5-Fluoro-2-nitrophenol has been used in:total synthesis of the (+/?)-CC-1065 CPI subunitsynthesis of 2-(7-fluoro-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazin-6-yl)-4,5,6,7-tetrahydro-2H-isoindoline-1,3-diones7-substituted 2H-1,4-benzoxazin-3-(4H)-ones, possessing therapeutic potential as inhibitors of angiogenesis

Technology Process of 5-Fluoro-2-nitrophenol

There total 15 articles about 5-Fluoro-2-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: 95.0%

5-fluoro-2-nitroaniline (2369-11-1) → 5-fluoro-2-nitrophenol (446-36-6)

Guidance literature:

With sulfuric acid; sodium nitrite; In water; at 5 - 90 ℃; for 1.5h; Temperature;

Reference yield: 95.0%

2,4-Difluoronitrobenzene (446-35-5) → 5-fluoro-2-nitrophenol (446-36-6)

Guidance literature:

With water; potassium hydroxide; In tetrahydrofuran; at 52 - 58 ℃; Solvent; Reagent/catalyst; Temperature;

Reference yield: 90.8%

4-fluoro-2-methoxy-1-nitrobenzene (448-19-1) → 5-fluoro-2-nitrophenol (446-36-6)

Guidance literature:

With boron tribromide; In dichloromethane; at 0 ℃; for 1.5h;

upstream raw materials:

3-fluorophenol

sulfuric acid

acetic acid

2,4-Difluoronitrobenzene

Downstream raw materials:

2,4-dibromo-3-fluoro-6-nitro-phenol

4-chloro-5-fluoro-2-nitrophenol

3-Fluoro-4,6-dinitrophenol

3-fluoro-2,4,6-trinitro-phenol

Refernces

• 1、 -. "Method for preparing 5-fluoro-2-nitrophenol". Paragraph 0031-0059. . Retrieved 2020/01/12.
• 2、 -. "Method for synthetizing 2-(5-fluorine-2-nitryl-phenoxyl) methyl acetate". Paragraph 0024-0025; 0030-0033. . Retrieved 2018/04/01.