1-Heptanesulfonic acid

Base Information

• Chemical Name: 1-Heptanesulfonic acid
• CAS No.: 60586-80-3
• Molecular Formula: C7H16 O3 S
• Molecular Weight: 180.268
• European Community (EC) Number: 262-314-6
• UNII: VLP8FK213I
• DSSTox Substance ID: DTXSID5069411
• Nikkaji Number: J268.232J
• Wikidata: Q81996285
• Mol file: 60586-80-3.mol

Synonyms:1-heptanesulfonic acid;sodium 1-heptanesulfonate

Chemical Property of 1-Heptanesulfonic acid

Chemical Property:

• Melting Point: None °C
• PSA: 62.75000
• Density: 1.108g/cm³
• LogP: 2.92540
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 180.08201554
• Heavy Atom Count: 11
• Complexity: 167

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCCCCS(=O)(=O)O

Technology Process of 1-Heptanesulfonic acid

There total 10 articles about 1-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-hexyl methanesulfonate (16156-50-6) → heptane-1-sulfonic acid (60586-80-3)

Guidance literature:

With potassium hydroxide; In 5,5-dimethyl-1,3-cyclohexadiene;

Reference yield:

heptanethiol (1639-09-4) → heptane-1-sulfonic acid (60586-80-3)

Guidance literature:

With peracetic acid; acetic acid; at 0 ℃; for 2h;

DOI:10.1021/ja067670a

Reference yield:

1-Bromoheptane (629-04-9) → heptane-1-sulfonic acid (60586-80-3)

Guidance literature:

With ammonium bisulfite; water;

DOI:10.1021/ja01291a007

upstream raw materials:

1-Bromoheptane

n-heptane

heptylsulfanyl cyanate

nitric acid

Downstream raw materials:

heptanesulfonyl chloride

Refernces

• 1、 Jariwala, Freneil B.,Wood, Ryan E.,Nishshanka, Upul,Attygalle, Athula B.. "Formation of the bisulfite anion (HSO3 -, m/z 81) upon collision-induced dissociation of anions derived from organic sulfonic acids". experimental part. p. 529 - 538. Retrieved 2012/08/28.
• 2、 Ferguson, Richard R.,Crabtree, Robert H.. "Mercury-Photosensitized Sulfination, Hydrosulfination, and Carbonylation of Hydrocarbons: Alkane and Alkene Conversion to Sulfonic Acids, Ketones, and Aldehydes". . p. 5503 - 5510. Retrieved 2007/10/02.