4-Heptanesulfonic acid

Base Information

• Chemical Name: 4-Heptanesulfonic acid
• CAS No.: 183278-21-9
• Molecular Formula: C7H16O3S
• Molecular Weight: 180.268
• DSSTox Substance ID: DTXSID30431141
• Wikidata: Q82244951
• Mol file: 183278-21-9.mol

Synonyms:4-Heptanesulfonic acid;183278-21-9;SCHEMBL1890320;DTXSID30431141;Heptane-4-sulfonic acid, AldrichCPR

Chemical Property of 4-Heptanesulfonic acid

Chemical Property:

• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 180.08201554
• Heavy Atom Count: 11
• Complexity: 172

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(CCC)S(=O)(=O)O

Technology Process of 4-Heptanesulfonic acid

There total 1 articles about 4-Heptanesulfonic 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:

n-heptane (142-82-5) → heptane-3-sulfonic acid + heptane-1-sulfonic acid (60586-80-3) + 2-heptanesulfonic acid (102881-70-9) + 4-heptanesulfonic acid (183278-21-9)

Guidance literature:

With formic acid; sulfur dioxide; hydrogen; dihydrogen peroxide; mercury; Yield given. Multistep reaction. Yields of byproduct given; 1.) 55 deg C, irradiation 2.) 40 deg C;

DOI:10.1021/jo00019a006

upstream raw materials:

n-heptane

Refernces