2,4,6-Tribromo-3,5-difluoropyridine

Base Information

• Chemical Name: 2,4,6-Tribromo-3,5-difluoropyridine
• CAS No.: 30841-93-1
• Molecular Formula: C5Br3F2N
• Molecular Weight: 351.771
• Hs Code.: 2933399090
• European Community (EC) Number: 671-833-0
• DSSTox Substance ID: DTXSID80381086
• Nikkaji Number: J966.798I
• Wikidata: Q82171704
• Mol file: 30841-93-1.mol

Synonyms:2,4,6-tribromo-3,5-difluoropyridine;30841-93-1;3,5-Difluoro-2,4,6-tribromopyridine;2,4,6-tribromo-3,5-difluoro-pyridine;Pyridine, 2,4,6-tribromo-3,5-difluoro-;SCHEMBL2650044;DTXSID80381086;GKWOSYZICRXPCI-UHFFFAOYSA-N;AMY17432;MFCD03093767;AKOS015891786;FT-0609836;F81975;A820642

Chemical Property of 2,4,6-Tribromo-3,5-difluoropyridine

Chemical Property:

• Vapor Pressure: 18.8mmHg at 25°C
• Melting Point: 108-110 °C
• Refractive Index: 1.343
• Boiling Point: 251.5 °C at 760 mmHg
• PKA: -5.26±0.10(Predicted)
• Flash Point: 105.9 °C
• PSA: 12.89000
• Density: 2.519 g/cm³
• LogP: 3.64730
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 350.75284
• Heavy Atom Count: 11
• Complexity: 134

Purity/Quality:

98%min ^*data from raw suppliers

3,5-Difluoro-2,4,6-tribromopyridine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1(=C(C(=C(N=C1Br)Br)F)Br)F

Technology Process of 2,4,6-Tribromo-3,5-difluoropyridine

There total 3 articles about 2,4,6-Tribromo-3,5-difluoropyridine 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: 91.0%

Pentafluoropyridine (700-16-3) → 2,4,6-tribromo-3,5-difluoropyridine (30841-93-1)

Guidance literature:

With aluminum tri-bromide; hydrogen bromide; at 150 ℃; for 84h;

Reference yield: 31.5%

Pentafluoropyridine (700-16-3) + hydrogen bromide (10035-10-6,12258-64-9) → 2,4,6-tribromo-3,5-difluoropyridine (30841-93-1) + 2,4-Br2C5F3N + 4-bromo-2,3,5,6-tetrafluoropyridine (3511-90-8)

Guidance literature:

In sulfolane; C5F5N, dissolved in sulfolane, reacts with HBr at 100 °C (20 h), then at 130-160 °C (148 h).;

DOI:10.1039/J39710000061

Reference yield:

→ 2,4,6-tribromo-3,5-difluoropyridine (30841-93-1)

Guidance literature:

upstream raw materials:

Pentafluoropyridine

hydrogen bromide

Downstream raw materials:

2,6-dibromo-3,5-difluoropyridine

4,4'-Dimethoxybiphenyl

2,4-dibromo-3,5-difluoro-6-(2-fluoro-5-nitrophenyl)pyridine

3,5-difluoro-4-trimethylsilanylpyridine

Refernces

• 1、 Chambers, Richard D.,Hall, Christopher W.,Hutchinson, John,Millar, Ross W.. "Polyhalogenated heterocyclic compounds. Part 42. Fluorinated nitrogen heterocycles with unusual substitution patterns". . p. 1705 - 1713. Retrieved 2007/10/03.