4-Bromo-2,3,5,6-tetrafluoropyridine

Base Information

• Chemical Name: 4-Bromo-2,3,5,6-tetrafluoropyridine
• CAS No.: 3511-90-8
• Molecular Formula: C5BrF4N
• Molecular Weight: 229.959
• Hs Code.: 2933399090
• European Community (EC) Number: 624-202-9
• DSSTox Substance ID: DTXSID90188609
• Nikkaji Number: J104.766C
• Wikidata: Q83060421
• Mol file: 3511-90-8.mol

Synonyms:4-bromo-2,3,5,6-tetrafluoropyridine

Chemical Property of 4-Bromo-2,3,5,6-tetrafluoropyridine

Chemical Property:

• Appearance/Colour: clear colorless liquid
• Vapor Pressure: 9.95mmHg at 25°C
• Melting Point: 132-134 °C
• Refractive Index: n20/D 1.464(lit.)
• Boiling Point: 134.5 °C at 760 mmHg
• PKA: -3.97±0.10(Predicted)
• Flash Point: 62.8 °C
• PSA: 12.89000
• Density: 1.208 g/cm³
• LogP: 2.40050
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 228.91502
• Heavy Atom Count: 11
• Complexity: 132

Purity/Quality:

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

4-Bromo-2,3,5,6-tetrafluoropyridine ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1(=C(C(=C(N=C1F)F)F)Br)F
• Uses: 4-Bromo-2,3,5,6-tetrafluoropyridine was used in the preparation of 2,3,5,6-tetrafluoro-pyridylcadmium or 2,3,5,6-tetrafluoropyridylzinc reagent.

Technology Process of 4-Bromo-2,3,5,6-tetrafluoropyridine

There total 11 articles about 4-Bromo-2,3,5,6-tetrafluoropyridine 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%

2,3,5,6-tetrafluoro-4-mercaptopyridine (19736-58-4) → 4-bromo-2,3,5,6-tetrafluoropyridine (3511-90-8)

Guidance literature:

With bromine; at 500 ℃;

DOI:10.1007/s11178-006-0012-1

Reference yield: 80.0%

Pentafluoropyridine (700-16-3) + calcium bromide (7789-41-5) → 4-bromo-2,3,5,6-tetrafluoropyridine (3511-90-8)

Guidance literature:

In not given; molar ratio CaBr2/C5F5N = 3.8/1, 4 h;;

Reference yield: 61.0%

2,3,5,6-tetrafluoropyridin-4-amine (1682-20-8) + copper(I) bromide (7787-70-4) + sodium nitrite (7632-00-0) → 4-bromo-2,3,5,6-tetrafluoropyridine (3511-90-8)

Guidance literature:

In hydrogen fluoride; hydrogen bromide; Diazotation with NaNO2 in 20 % aq. HF at - 20 °C (0.5 h). Cleavage by dropwise addn. of CuBr in 48 % aq. HBr at -20 to -25 °C (0.5 h).;

DOI:10.1039/JR9650005040

upstream raw materials:

Pentafluoropyridine

2,3,5,6-tetrafluoro-4-mercaptopyridine

hydrogen bromide

aluminium bromide

Downstream raw materials:

tetrafluoroisonicotinic acid

2-Amino-3,5,6-trifluoropyridine

4-benzyltetrafluoropyridine

2,3,5,6-tetrafluoropyridine

Refernces

• 1、 Platonov,Maksimov,Dvornikova,Nikul'shin. "Organofluorine sulfur-containing compounds: V. Joint pyrolysis with chlorine or bromine of polyfluoroarenethioles, polyfluorohetarenethioles, and their derivatives". . p. 1647 - 1653. Retrieved 2007/10/03.