3-Fluoro-2-nitrophenol

Base Information

• Chemical Name: 3-Fluoro-2-nitrophenol
• CAS No.: 385-01-3
• Molecular Formula: C6H4FNO3
• Molecular Weight: 157.101
• Hs Code.: 2908999090
• European Community (EC) Number: 675-091-9
• DSSTox Substance ID: DTXSID30382285
• Nikkaji Number: J801.755G
• Wikidata: Q72475361
• Mol file: 385-01-3.mol

Synonyms:3-fluoro-2-nitrophenol;385-01-3;Phenol, 3-fluoro-2-nitro-;2-Nitro-3-fluorophenol;MFCD07368753;3-fluoro-2-nitro-phenol;2-Fluoro-6-hydroxynitrobenzene;3-fluoronitro-phenol;SCHEMBL845747;DTXSID30382285;GAWNBKUTBVLIPL-UHFFFAOYSA-N;3-Fluoro-2-nitrophenol, AldrichCPR;BBL100977;CL8487;STL554771;AKOS005256259;CS-W007764;GS-3543;SY039923;AM20060963;F0947;FT-0632071;EN300-299335;J-512465

Chemical Property of 3-Fluoro-2-nitrophenol

Chemical Property:

• Vapor Pressure: 0.0289mmHg at 25°C
• Melting Point: 37-38 °C
• Refractive Index: 1.581
• Boiling Point: 237.6 °C at 760 mmHg
• PKA: 3.56±0.10(Predicted)
• Flash Point: 97.5 °C
• PSA: 66.05000
• Density: 1.511 g/cm³
• LogP: 1.96270
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Solubility.: soluble in Methanol
• XLogP3: 1.5
• 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

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

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,C
• Statements: 34
• Safety Statements: 36/37/39-45

MSDS Files:

Useful:

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

Technology Process of 3-Fluoro-2-nitrophenol

There total 5 articles about 3-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%

1-fluoro-3-methoxy-2-nitrobenzene (641-49-6) → 2-nitro-3-fluorophenol (385-01-3)

Guidance literature:

With boron tribromide; In dichloromethane; at -40 - 20 ℃; for 15h;

DOI:10.1002/cmdc.201700228

Reference yield: 61.0%

2,6-difluoro-1-nitrobenzene (19064-24-5) → 2-nitro-3-fluorophenol (385-01-3)

Guidance literature:

With potassium tert-butylate; In dimethyl sulfoxide; at 20 ℃; for 18.5h;

Reference yield: 27.0%

3-fluorophenol (372-20-3) → 5-fluoro-2-nitrophenol (446-36-6) + 2-nitro-3-fluorophenol (385-01-3) + 3-fluoro-4-nitrophenol (394-41-2)

Guidance literature:

With nitric acid; acetic acid; at 15 - 26 ℃; for 1.5 - 2h; Product distribution / selectivity;

upstream raw materials:

3-fluorophenol

2,6-difluoro-1-nitrobenzene

sulfuric acid

1-fluoro-3-methoxy-2-nitrobenzene

Downstream raw materials:

1-fluoro-3-methoxy-2-nitrobenzene

1-(benzyloxy)-3-fluoro-2-nitrobenzene

5-fluoro-2H-benzo[b][1,4]oxazin-3(4H)-one

4-bromo-3-fluoro-2-nitrophenol

Refernces

• 1、 Betageri, Raj,Gilmore, Thomas,Kuzmich, Daniel,Kirrane, Thomas M.,Bentzien, J?rg,Wiedenmayer, Dieter,Bekkali, Younes,Regan, John,Berry, Angela,Latli, Bachir,Kukulka, Alison J.,Fadra, Tazmeen N.,Nelson, Richard M.,Goldrick, Susan,Zuvela-Jelaska, Ljiljana,Souza, Don,Pelletier, Josephine,Dinallo, Roger,Panzenbeck, Mark,Torcellini, Carol,Lee, Heewon,Pack, Edward,Harcken, Christian,Nabozny, Gerald,Thomson, David S.. "Non-steroidal dissociated glucocorticoid agonists: Indoles as A-ring mimetics and function-regulating pharmacophores". scheme or table. p. 6842 - 6851. Retrieved 2011/12/22.
• 2、 -. "PYRAZOLE COMPOUNDS". Page/Page column 29. . Retrieved 2010/04/30.