4-Octadecylbenzenesulfonic acid

Base Information

• Chemical Name: 4-Octadecylbenzenesulfonic acid
• CAS No.: 79840-57-6
• Molecular Formula: C24H42O3S
• Molecular Weight: 410.662
• DSSTox Substance ID: DTXSID60551765
• Nikkaji Number: J181.066I
• Wikidata: Q82431594
• Mol file: 79840-57-6.mol

Synonyms:4-OCTADECYLBENZENESULFONIC ACID;79840-57-6;4-Octadecylbenzene-1-sulfonic acid;SCHEMBL4537302;DTXSID60551765;4-OCTADECYLBENZENESULFONICACID;D87599

Chemical Property of 4-Octadecylbenzenesulfonic acid

Chemical Property:

• XLogP3: 10.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 18
• Exact Mass: 410.28546637
• Heavy Atom Count: 28
• Complexity: 433

Purity/Quality:

99%,98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)O

Technology Process of 4-Octadecylbenzenesulfonic acid

There total 4 articles about 4-Octadecylbenzenesulfonic acid 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: 48.0%

octadecylbenzene (4445-07-2) → 4-octadecylbenzenesulfonic acid (79840-57-6)

Guidance literature:

With chlorosulfonic acid; In 1,2-dichloro-ethane; at 20 ℃;

Reference yield:

→ 4-octadecylbenzenesulfonic acid (79840-57-6)

Guidance literature:

With sulfuric acid;

Reference yield:

1-Bromooctadecane (112-89-0) → 4-octadecylbenzenesulfonic acid (79840-57-6)

Guidance literature:

Multi-step reaction with 2 steps

1: AlCl₃

2: sulfuric acid; SO₃

With aluminium trichloride; sulfuric acid; sulfur trioxide;

upstream raw materials:

octadecylbenzene

1-Bromooctadecane

benzene

Refernces