2-Bromo-6-nitropyridine

Base Information

• Chemical Name: 2-Bromo-6-nitropyridine
• CAS No.: 21203-78-1
• Molecular Formula: C5H3 Br N2 O2
• Molecular Weight: 202.995
• Hs Code.: 2933399090
• European Community (EC) Number: 850-461-4
• DSSTox Substance ID: DTXSID20362854
• Wikidata: Q72448702
• Mol file: 21203-78-1.mol

Synonyms:2-bromo-6-nitropyridine;21203-78-1;Pyridine, 2-bromo-6-nitro-;MFCD00234012;Pyridine,2-bromo-6-nitro-;SCHEMBL188183;DTXSID20362854;STK966386;AKOS000320204;CS-W009162;GS-5017;AC-28005;SY074130;A4586;AM20080631;FT-0611514;EN300-104428;W-206604

Chemical Property of 2-Bromo-6-nitropyridine

Chemical Property:

• Vapor Pressure: 0.00114mmHg at 25°C
• Boiling Point: 309.9oC at 760 mmHg
• PKA: -7.03±0.12(Predicted)
• Flash Point: 141.2oC
• PSA: 58.71000
• Density: 1.833g/cm3
• LogP: 2.27550
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 201.93779
• Heavy Atom Count: 10
• Complexity: 136

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-Bromo-6-nitropyridine ^*data from reagent suppliers

Safty Information:

• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=NC(=C1)Br)[N+](=O)[O-]
• Uses: 2-Bromo-6-nitropyridine is an industrially important halongen substituted pyridine derivative, used to study conductor-like Polarizable Continuum Solvation Model (C-PCM).

Technology Process of 2-Bromo-6-nitropyridine

There total 1 articles about 2-Bromo-6-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:

2-Amino-6-bromopyridine (19798-81-3,1184170-10-2) → 2-bromo-6-nitro-pyridine (21203-78-1)

Guidance literature:

With sulfuric acid; dihydrogen peroxide; at 5 - 20 ℃;

DOI:10.1039/c2dt31308a

Reference yield: 95.0%

2-bromo-6-nitro-pyridine (21203-78-1) → 2-bromo-6-fluoropyridine (144100-07-2)

Guidance literature:

With tetrabutyl ammonium fluoride; In dimethyl sulfoxide; at 25 ℃; for 0.166667h; Inert atmosphere; Microwave irradiation; Anhydrous conditions;

DOI:10.1016/j.tetlet.2010.02.042

Reference yield: 71.0%

2-bromo-6-nitro-pyridine (21203-78-1) + 2-trimethylstannylpyridine (13737-05-8) → 6-nitro-2,2'-bipyridine (944709-04-0)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; In toluene; for 16h; Inert atmosphere; Reflux;

DOI:10.1246/bcsj.80.902

upstream raw materials:

2-Amino-6-bromopyridine

Downstream raw materials:

6-nitro-2,2'-bipyridine

2-bromo-6-fluoropyridine

2-(2,6-difluoro-phenyl)-6-nitro-pyridine

6-nitro-N-phenylpyridin-2-amine

Refernces