3-(Trifluoromethyl)phenyl trifluoromethanesulfonate

Base Information

• Chemical Name: 3-(Trifluoromethyl)phenyl trifluoromethanesulfonate
• CAS No.: 199188-30-2
• Molecular Formula: C8H4F6O3S
• Molecular Weight: 294.174
• Hs Code.: 2906299090
• European Community (EC) Number: 861-725-3
• DSSTox Substance ID: DTXSID60443530
• Nikkaji Number: J893.053H
• Wikidata: Q82261410
• Mol file: 199188-30-2.mol

Synonyms:199188-30-2;3-(trifluoromethyl)phenyl trifluoromethanesulfonate;[3-(trifluoromethyl)phenyl] trifluoromethanesulfonate;3-(Trifluoromethyl)phenyl trifluoromethanesulphonate;3-trifluoromethylphenyl trifluoromethanesulfonate;SCHEMBL6938268;DTXSID60443530;RTVXJTWXYGSQAI-UHFFFAOYSA-N;MFCD07784329;AKOS025310299;BS-21931;CS-0205610;3-(trifluoromethyl)phenyltrifluoromethanesulfonate;A814072;Trifluoromethanesulfonic acid 3-(trifluoromethyl)phenyl ester

Chemical Property of 3-(Trifluoromethyl)phenyl trifluoromethanesulfonate

Chemical Property:

• Vapor Pressure: 0.046mmHg at 25°C
• Boiling Point: 245.187oC at 760 mmHg
• Flash Point: 102.086oC
• PSA: 51.75000
• Density: 1.596g/cm3
• LogP: 4.01460
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 2
• Exact Mass: 293.97853413
• Heavy Atom Count: 18
• Complexity: 379

Purity/Quality:

97% ^*data from raw suppliers

3-(Trifluoromethyl)phenylTrifluoromethanesulfonate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)OS(=O)(=O)C(F)(F)F)C(F)(F)F

Technology Process of 3-(Trifluoromethyl)phenyl trifluoromethanesulfonate

There total 5 articles about 3-(Trifluoromethyl)phenyl trifluoromethanesulfonate 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: 92.0%

trifluoromethylsulfonic anhydride (358-23-6) + 3-Trifluoromethylphenol (98-17-9) → 3-(trifluoromethyl)phenyl trifluoromethanesulfonate (199188-30-2)

Guidance literature:

With pyridine; at 0 - 20 ℃; for 48h;

DOI:10.1039/b406803c

Reference yield: 89.0%

trifluorormethanesulfonic acid (1493-13-6) + 3-(trifluoromethyl)benzenediazonium tetrafluoroborate (454-87-5) → 3-fluoro-trifluoromethylbenzene (401-80-9) + 3-(trifluoromethyl)phenyl trifluoromethanesulfonate (199188-30-2)

Guidance literature:

With pyridine; at 90 ℃; for 1h;

Reference yield: 85.0%

trifluorormethanesulfonic acid (1493-13-6) + 3-(trifluoromethyl)benzenediazonium tetrafluoroborate (454-87-5) → 3-(((trifluoromethyl)sulfonyl)oxy)benzoic acid (32578-33-9) + 3-(trifluoromethyl)phenyl trifluoromethanesulfonate (199188-30-2)

Guidance literature:

at 90 ℃; for 1h;

upstream raw materials:

trifluorormethanesulfonic acid

3-(trifluoromethyl)benzenediazonium tetrafluoroborate

2,2-difluoro-2-(fluorosulfonyl)acetate

3-iodophenyl trifluoromethanesulfonate

Downstream raw materials:

diethyl <3-(trifluoromethyl)phenyl>phosphonate

1-(m-trifluoromethylphenyl)cyclopentene

2-(3-(trifluoromethyl)phenyl)prop-2-en-1-ol

1-ethoxy-3-(trifluoromethyl)benzene