2-Bromo-5-iodo-3-nitropyridine

Base Information

• Chemical Name: 2-Bromo-5-iodo-3-nitropyridine
• CAS No.: 426463-20-9
• Molecular Formula: C₅H₂BrIN₂O₂
• Molecular Weight: 328.892
• Hs Code.: 2933399990
• DSSTox Substance ID: DTXSID60595189
• Wikidata: Q82490144
• Mol file: 426463-20-9.mol

Synonyms:2-Bromo-5-iodo-3-nitropyridine;426463-20-9;SCHEMBL1721986;5-iodo-3-nitro-2-bromopyridine;DTXSID60595189;ZEECRCKYHSULQO-UHFFFAOYSA-N;BSA46320;MFCD10574979;AKOS015835779;DB-029364;2-Bromo-5-iodo-3-nitropyridine, AldrichCPR;CS-0365321;G10830

Chemical Property of 2-Bromo-5-iodo-3-nitropyridine

Chemical Property:

• Vapor Pressure: 0.000679mmHg at 25°C
• Boiling Point: 318.3°C at 760 mmHg
• Flash Point: 146.3°C
• PSA: 58.71000
• Density: 2.477g/cm³
• LogP: 2.88010
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 327.83444
• Heavy Atom Count: 11
• Complexity: 163

Purity/Quality:

97% ^*data from raw suppliers

2-Bromo-5-iodo-3-nitropyridine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Bromo-5-iodo-3-nitropyridine

There total 3 articles about 2-Bromo-5-iodo-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: 45.0%

5-Iodo-3-nitro-2-aminopyridine (25391-57-5) → 2-Bromo-3-nitro-5-iodopyridine (426463-20-9)

Guidance literature:

With hydrogen bromide; copper(I) bromide; sodium nitrite; In water; at 0 - 20 ℃;

Reference yield: 23.0%

Concentrated HBr + 5-Iodo-3-nitro-2-aminopyridine (25391-57-5) → 2-Bromo-3-nitro-5-iodopyridine (426463-20-9)

Guidance literature:

With sodium nitrite; copper(I) bromide;

Reference yield:

2-amino-3-nitropyridine (4214-75-9) → 2-Bromo-3-nitro-5-iodopyridine (426463-20-9)

Guidance literature:

Multi-step reaction with 2 steps

1.1: acetic acid; periodic acid; sulfuric acid / water / 0.17 h / 90 °C

1.2: 60 h

2.1: hydrogen bromide; copper(I) bromide; sodium nitrite / water / 0 - 20 °C

With sulfuric acid; hydrogen bromide; acetic acid; periodic acid; copper(I) bromide; sodium nitrite; In water;

upstream raw materials:

5-Iodo-3-nitro-2-aminopyridine

2-amino-3-nitropyridine

Downstream raw materials:

2-bromo-5-iodopyridine-3-amine

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