1-(Trifluoromethanesulfonyl)octane

Base Information

• Chemical Name: 1-(Trifluoromethanesulfonyl)octane
• CAS No.: 73587-47-0
• Molecular Formula: C9H17F3O2S
• Molecular Weight: 246.294
• DSSTox Substance ID: DTXSID00503920
• Nikkaji Number: J3.308.921J
• Wikidata: Q82358038
• Mol file: 73587-47-0.mol

Synonyms:1-(Trifluoromethanesulfonyl)octane;73587-47-0;SCHEMBL23520532;DTXSID00503920;HRPZRSQXPGFZCO-UHFFFAOYSA-N

Chemical Property of 1-(Trifluoromethanesulfonyl)octane

Chemical Property:

• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 246.09013544
• Heavy Atom Count: 15
• Complexity: 252

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCS(=O)(=O)C(F)(F)F

Technology Process of 1-(Trifluoromethanesulfonyl)octane

There total 1 articles about 1-(Trifluoromethanesulfonyl)octane 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:

trifluoromethylsulfonic anhydride (358-23-6) + n-octylmagnesium chloride (38841-98-4) → n-chlorooctane (111-85-3) + 1-((trifluoromethyl)sulfonyl)octane (73587-47-0)

Guidance literature:

In diethyl ether; at -78 ℃; corresponding bromo derivative;

DOI:10.1021/jo01301a042

upstream raw materials:

trifluoromethylsulfonic anhydride

n-octylmagnesium chloride