3-(Trifluoromethyl)benzene-1-sulfonyl fluoride

Base Information

• Chemical Name: 3-(Trifluoromethyl)benzene-1-sulfonyl fluoride
• CAS No.: 32466-24-3
• Molecular Formula: C7H4F4O2S
• Molecular Weight: 228.167
• DSSTox Substance ID: DTXSID40555645
• Wikidata: Q82437047
• Mol file: 32466-24-3.mol

Synonyms:32466-24-3;3-(Trifluoromethyl)benzene-1-sulfonyl fluoride;3-(TRIFLUOROMETHYL)BENZENESULFONYL FLUORIDE;3-(TRIFLUOROMETHYL)-BENZENESULFONYL FLUORIDE;SCHEMBL4616498;DTXSID40555645;XVDQMADDVVHZNM-UHFFFAOYSA-N;AKOS037478177;AT40546;EN300-224439;3-(TRIFLUOROMETHYL)-BENZENESULFONYLFLUORIDE

Chemical Property of 3-(Trifluoromethyl)benzene-1-sulfonyl fluoride

Chemical Property:

• Boiling Point: 217.4±40.0 °C(Predicted)
• PSA: 42.52000
• Density: 1.484±0.06 g/cm3(Predicted)
• LogP: 3.44440
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 227.98681319
• Heavy Atom Count: 14
• Complexity: 290

Purity/Quality:

98.5% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-(Trifluoromethyl)benzene-1-sulfonyl fluoride

There total 3 articles about 3-(Trifluoromethyl)benzene-1-sulfonyl fluoride 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: 49.0%

α,α,α-trifluorotoluene (98-08-8) → benzoyl fluoride (455-32-3) + 1-(Fluorsulfonyl)-3-(trifluormethyl)benzol (32466-24-3)

Guidance literature:

With sulfur trioxide; at 100 ℃; for 48h;

Reference yield:

N-{[3-(trifluoromethyl)phenyl]thio}phthalimide (1443150-74-0) → 1-(Fluorsulfonyl)-3-(trifluormethyl)benzol (32466-24-3)

Guidance literature:

With methanol; potassium fluoride; trichloroisocyanuric acid; In acetonitrile; at 25 ℃; for 24h; Inert atmosphere; Schlenk technique; Glovebox; Sealed tube;

DOI:10.1002/anie.202009699

Reference yield:

→ 1-(Fluorsulfonyl)-3-(trifluormethyl)benzol (32466-24-3)

Guidance literature:

3-Aminobenzotrifluorid; ueber Diazoniumsalz und Chlorid;

DOI:10.1021/ja00808a037

upstream raw materials:

α,α,α-trifluorotoluene

N-{[3-(trifluoromethyl)phenyl]thio}phthalimide