1-Octylpyridinium bromide

Base Information

• Chemical Name: 1-Octylpyridinium bromide
• CAS No.: 2534-66-9
• Molecular Formula: C13H22 N . Br
• Molecular Weight: 272.228
• European Community (EC) Number: 219-797-3
• DSSTox Substance ID: DTXSID10883861
• Mol file: 2534-66-9.mol

Synonyms:2534-66-9;1-Octylpyridinium bromide;n-octylpyridinium bromide;Octylpyridinium bromide;1-octylpyridin-1-ium bromide;1-octylpyridin-1-ium;bromide;EINECS 219-797-3;Pyridinium, 1-octyl-, bromide (1:1);Pyridinium, 1-octyl-, bromide;1-octylpyridinium bromid;n-octylpyridiniumbromide;C13H22N.Br;SCHEMBL637000;DTXSID10883861;CAA53466;MFCD20134161;AS-58125;CS-0152281;D71166

Chemical Property of 1-Octylpyridinium bromide

Chemical Property:

• Melting Point: 28-30 °C(Solv: ethyl ether (60-29-7))
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 3.88000
• Density: g/cm³
• LogP: 0.33860
• Storage Temp.: Inert atmosphere,Room Temperature
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 7
• Exact Mass: 271.09356
• Heavy Atom Count: 15
• Complexity: 116

Purity/Quality:

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

N-octylpyridiniumbromide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCC[N+]1=CC=CC=C1.[Br-]

Technology Process of 1-Octylpyridinium bromide

There total 1 articles about 1-Octylpyridinium bromide 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: 79.0%

pyridine (110-86-1) + 1-bromo-octane (111-83-1) → N-(n-octyl)pyridinium bromide (2534-66-9)

Guidance literature:

at 80 ℃; for 3h; Inert atmosphere;

DOI:10.1016/j.tetlet.2012.04.119

Reference yield:

N-(n-octyl)pyridinium bromide (2534-66-9) + C10H11N2O4S(1-)*Ag(1+) → C10H11N2O4S(1-)*C13H22N(1+)

Guidance literature:

In water; at 80 ℃; for 3.2h; Inert atmosphere;

DOI:10.1016/j.molliq.2021.117336

Reference yield:

N-(n-octyl)pyridinium bromide (2534-66-9) + bis(trifluoromethane)sulfonimide lithium (90076-65-6) → 1-octylpyridinium bis(trifluoromethylsulfonyl)imide (384347-06-2)

Guidance literature:

In water; at 20 ℃; for 5h; Inert atmosphere;

DOI:10.1016/j.jcat.2012.04.016

upstream raw materials:

pyridine

1-bromo-octane

Downstream raw materials:

1-octylpyridinium bis(trifluoromethylsulfonyl)imide

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