2-Bromo-3,5-dinitropyridine

Base Information

• Chemical Name: 2-Bromo-3,5-dinitropyridine
• CAS No.: 16420-30-7
• Molecular Formula: C5H2BrN3O4
• Molecular Weight: 247.993
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID60513469
• Wikidata: Q82373310
• Mol file: 16420-30-7.mol

Synonyms:2-BROMO-3,5-DINITROPYRIDINE;16420-30-7;Pyridine, 2-bromo-3,5-dinitro-;4,6-dimethyl-5-pyrimidinol;SCHEMBL2082959;2-bromanyl-3,5-dinitro-pyridine;DTXSID60513469;AKOS015891784;AB06958;FT-0653061;A810543;W-205933

Chemical Property of 2-Bromo-3,5-dinitropyridine

Chemical Property:

• Vapor Pressure: 0.00206mmHg at 25°C
• Refractive Index: 1.658
• Boiling Point: 300 °C at 760 mmHg
• PKA: -7.28±0.20(Predicted)
• Flash Point: 135.2 °C
• PSA: 104.53000
• Density: 2.023 g/cm³
• LogP: 2.70690
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 246.92287
• Heavy Atom Count: 13
• Complexity: 225

Purity/Quality:

98%min ^*data from raw suppliers

2-BROMO-3,5-DINITROPYRIDINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=NC(=C1[N+](=O)[O-])Br)[N+](=O)[O-]

Technology Process of 2-Bromo-3,5-dinitropyridine

There total 4 articles about 2-Bromo-3,5-dinitropyridine 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:

6-bromopyridin-3-ylboronic acid (223463-14-7) → 2-bromo-pyridine (109-04-6) + 2-bromo-5-nitropyridine (4487-59-6) + 2-bromo-3-nitropyridine (19755-53-4) + 2-bromo-3,5-dinitro-pyridine (16420-30-7)

Guidance literature:

6-bromopyridin-3-ylboronic acid; With potassium hydrogen bifluoride; In methanol; water; at 0 - 20 ℃; for 0.0333333h; Inert atmosphere;

With nitrosonium tetrafluoroborate; In acetonitrile; at 20 ℃; for 0.00833333h;

DOI:10.1021/jo300551m

Reference yield:

→ 2-bromo-3,5-dinitro-pyridine (16420-30-7)

Guidance literature:

With phosphorus(V) oxybromide;

Reference yield:

2-hydroxy-3,5-dinitropyridine (2980-33-8,222548-10-9) → 2-bromo-3,5-dinitro-pyridine (16420-30-7)

Guidance literature:

With phosphorus(V) oxybromide;

upstream raw materials:

2-hydroxy-3,5-dinitropyridine

6-bromopyridin-3-ylboronic acid

Refernces