2-Fluoro-4-nitrophenol

Base Information

• Chemical Name: 2-Fluoro-4-nitrophenol
• CAS No.: 403-19-0
• Molecular Formula: C6H4FNO3
• Molecular Weight: 157.101
• Hs Code.: 29089000
• European Community (EC) Number: 628-527-7
• DSSTox Substance ID: DTXSID7075393
• Nikkaji Number: J337.761J
• Wikidata: Q72475340
• ChEMBL ID: CHEMBL236536
• Mol file: 403-19-0.mol

Synonyms:2-fluoro-4-nitrophenol

Chemical Property of 2-Fluoro-4-nitrophenol

Chemical Property:

• Appearance/Colour: yellow crystalline powder
• Vapor Pressure: 0.00212mmHg at 25°C
• Melting Point: 120-122 °C(lit.)
• Boiling Point: 281.2 °C at 760 mmHg
• PKA: 5.67±0.22(Predicted)
• Flash Point: 123.9 °C
• PSA: 66.05000
• Density: 1.511 g/cm³
• LogP: 1.96270
• Storage Temp.: Inert atmosphere,Room Temperature
• Solubility.: soluble in Methanol
• XLogP3: 2.1
• 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:

99% ^*data from raw suppliers

2-Fluoro-4-nitrophenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn, Xi
• Hazard Codes: Xn,Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Nitrophenols
• Canonical SMILES: C1=CC(=C(C=C1[N+](=O)[O-])F)O
• Uses: 2-Fluoro-4-nitrophenol may be used in chemical synthesis.

Technology Process of 2-Fluoro-4-nitrophenol

There total 13 articles about 2-Fluoro-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: 76.0%

3-fluoro-1-nitrobenzene (402-67-5) → 2-fluoro-6-nitrophenol (1526-17-6,34470-85-4) + 2-fluoro-4-nitrophenol (403-19-0)

Guidance literature:

With tert.-butylhydroperoxide; potassium tert-butylate; ammonia; In tetrahydrofuran; for 0.25h;

DOI:10.1021/jo00304a001

Reference yield: 76.0%

3-fluoro-1-nitrobenzene (402-67-5) → 2-fluoro-4-nitrophenol (403-19-0)

Guidance literature:

With potassium hydroxide; Cumene hydroperoxide; In ammonia; at -33 ℃;

DOI:10.1021/jo970726m

Reference yield: 73.0%

4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) → 2-fluoro-4-nitrophenol (403-19-0)

Guidance literature:

With 2,3,4,5,6-pentachloro-1-fluoropyridin-1-ium trifluoromethanesulfonate; In dichloromethane; for 17h; Heating;

DOI:10.1021/ja00179a047

upstream raw materials:

2-fluoro-1-methoxy-4-nitrobenzene

4-nitro-phenol

3-fluoro-1-nitrobenzene

2-fluorophenol

Downstream raw materials:

1-(2-bromo-ethoxy)-2-fluoro-4-nitro-benzene

4-(2-fluoro-4-nitro-phenoxy)-6,7-dimethoxy-quinoline

3-fluoro-4-(3-fluoro-benzyloxy)-nitrobenzene

2-chloro-4-(2-fluoro-4-nitrophenoxy)pyrimidine

Refernces

• 1、 Yamaguchi, Koya,Ueki, Ryosuke,Nonaka, Hiroshi,Sugihara, Fuminori,Matsuda, Tetsuya,Sando, Shinsuke. "Design of chemical shift-switching 19F magnetic resonance imaging probe for specific detection of human monoamine oxidase A". supporting information; experimental part. p. 14208 - 14211. Retrieved 2011/10/31.
• 2、 Chambers, Richard D.,Fox, Mark A.,Sandford, Graham,Trmcic, Jelena,Goeta, Andres. "Elemental fluorine. Part 20. Direct fluorination of deactivated aromatic systems using microreactor techniques". . p. 29 - 33. Retrieved 2008/03/13.