4-Bromo-3-fluoropyridine

Base Information

• Chemical Name: 4-Bromo-3-fluoropyridine
• CAS No.: 2546-52-3
• Molecular Formula: C5H4BrClFN
• Molecular Weight: 175.988
• Hs Code.: 29333999
• European Community (EC) Number: 640-596-5
• DSSTox Substance ID: DTXSID50382484
• Wikidata: Q72479475
• Mol file: 2546-52-3.mol

Synonyms:4-Bromo-3-fluoropyridine;2546-52-3;Pyridine, 4-bromo-3-fluoro-;MFCD04113266;4-bromo-3-fluoro-pyridine;3-Fluoro-4-bromopyridine hydrochloride;4-Bromo-3-Fluoro Pyridine;SCHEMBL784834;DTXSID50382484;QBLOMVIUENUOJY-UHFFFAOYSA-N;4-Bromo-3-fluoropyridine, AldrichCPR;AKOS006229245;PB23387;PS-8598;BL001418;SY038188;AM20051002;CS-0053855;FT-0601284;EN300-108790

Chemical Property of 4-Bromo-3-fluoropyridine

Chemical Property:

• Appearance/Colour: light yellow liquid
• Vapor Pressure: 2.07mmHg at 25°C
• Refractive Index: 1.533
• Boiling Point: 169.2°C at 760 mmHg
• PKA: 2.22±0.10(Predicted)
• Flash Point: 56.1°C
• PSA: 12.89000
• Density: 1.707g/cm³
• LogP: 2.78520
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 174.94329
• Heavy Atom Count: 8
• Complexity: 78.8

Purity/Quality:

99% ^*data from raw suppliers

4-Bromo-3-fluoropyridine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN=CC(=C1Br)F
• Uses: 4-Bromo-3-fluoropyridine is a useful research reagent for organic synthesis and other chemical processes. A fluoronitropyridines derivative with multiple chemical applications.

Technology Process of 4-Bromo-3-fluoropyridine

There total 2 articles about 4-Bromo-3-fluoropyridine 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:

3-Fluoropyridine (372-47-4) → bromo-4 fluoro-3 pyridine (2546-52-3)

Guidance literature:

With n-butyllithium; N,N,N,N,-tetramethylethylenediamine; bromine; Yield given. Multistep reaction; 1) THF, -40 deg C, 1 hr;

DOI:10.1016/S0040-4020(01)91919-2

Reference yield:

→ bromo-4 fluoro-3 pyridine (2546-52-3)

Guidance literature:

3-Fluor-4-nitro-pyridin-N-oxyd, PBr3, sd. CHCl3;

Reference yield: 50.0%

bromo-4 fluoro-3 pyridine (2546-52-3) + benzylamine (100-46-9) → N-benzyl-3-fluoropyridine-4-sulfonamide

Guidance literature:

bromo-4 fluoro-3 pyridine; With sodium metabisulfite; 1,10-Phenanthroline; tetrabutylammomium bromide; sodium formate; palladium diacetate; triphenylphosphine; In dimethyl sulfoxide; at 70 ℃; for 4h; Inert atmosphere;

benzylamine; With N-chloro-succinimide; N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; dimethyl sulfoxide; at 0 - 20 ℃; Inert atmosphere;

upstream raw materials:

3-Fluoropyridine

Downstream raw materials:

3-Fluoropyridine

3-bromo-5-fluoropyridine

bromo-3 deuetrio-4 fluoro-5 pyridine

4-(1-hydroxy-1-ethylpropyl)-3-fluoropyridine

Refernces