4-Fluoro-3-nitropyridine

Base Information

• Chemical Name: 4-Fluoro-3-nitropyridine
• CAS No.: 115812-96-9
• Molecular Formula: C5H3FN2O2
• Molecular Weight: 142.089
• Hs Code.: 2933399090
• European Community (EC) Number: 816-097-5
• DSSTox Substance ID: DTXSID60602766
• Wikidata: Q72475417
• Mol file: 115812-96-9.mol

Synonyms:4-FLUORO-3-NITROPYRIDINE;115812-96-9;Pyridine, 4-fluoro-3-nitro-;Pyridine, 4-fluoro-3-nitro- (9CI);MFCD04114254;SCHEMBL2602389;DTXSID60602766;ITEDEJJEXBFZGM-UHFFFAOYSA-N;BBL103054;STL556863;AKOS006293430;BS-13344;CS-0147253;A18101;EN300-191757;I10226;J-524107

Chemical Property of 4-Fluoro-3-nitropyridine

Chemical Property:

• Vapor Pressure: 0.0778mmHg at 25°C
• Refractive Index: 1.538
• Boiling Point: 235.2 °C at 760 mmHg
• PKA: 0.08±0.18(Predicted)
• Flash Point: 96 °C
• PSA: 58.71000
• Density: 1.439 g/cm3
• LogP: 1.65210
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 142.01785550
• Heavy Atom Count: 10
• Complexity: 136

Purity/Quality:

97% ^*data from raw suppliers

4-Fluoro-3-nitropyridine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN=CC(=C1F)[N+](=O)[O-]
• Uses: 4-Fluoro-3-nitropyridine is a useful chemical reagent.

Technology Process of 4-Fluoro-3-nitropyridine

There total 1 articles about 4-Fluoro-3-nitropyridine 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:

potassium dihydrogen phosphate + 4-chloro-3-nitropyridine (13091-23-1) → 4-fluoro-3-nitropyridine (115812-96-9)

Guidance literature:

With potassium fluoride; In dimethyl sulfoxide;

Reference yield: 79.0%

4-fluoro-3-nitropyridine (115812-96-9) + 2-chloro-4-fluorophenol (1996-41-4) → 4-(2-chloro-4-fluorophenoxy)-3-nitropyridine

Guidance literature:

With copper(l) iodide; potassium carbonate; In N,N-dimethyl-formamide; at 20 - 110 ℃; for 3.5h;

Reference yield: 75.0%

4-fluoro-3-nitropyridine (115812-96-9) + 2,5-dichlorophenol (583-78-8) → 4-(2,5-dichlorophenoxy)-3-nitropyridine

Guidance literature:

With copper(l) iodide; potassium carbonate; In N,N-dimethyl-formamide; at 20 - 110 ℃; for 3.5h;

upstream raw materials:

4-chloro-3-nitropyridine

Downstream raw materials:

tert-butyl 4-(3-nitropyridin-4-yl)piperazine-1-carboxylate

4-(3-phenylsulfanyl-1H-pyrrolo[3,2-b]pyridin-7-yl)-piperazine-1-carboxylic acid tert-butyl ester

4-(3-benzenesulfonyl-1H-pyrrolo[3,2-b]pyridin-7-yl)-piperazine-1-carboxylic acid tert-butyl ester

3-nitro-4-phenoxypyridine