N-(4-Chlorophenyl)-1,1,1-trifluoromethanesulfonamide

Base Information

• Chemical Name: N-(4-Chlorophenyl)-1,1,1-trifluoromethanesulfonamide
• CAS No.: 23384-04-5
• Molecular Formula: C7H5 Cl F3 N O2 S
• Molecular Weight: 259.636
• Hs Code.: 2935009090
• European Community (EC) Number: 810-901-8
• DSSTox Substance ID: DTXSID20177945
• Nikkaji Number: J549.719A
• Wikidata: Q83048287
• Mol file: 23384-04-5.mol

Synonyms:N-(4-Chlorophenyl)-1,1,1-trifluoromethanesulfonamide;23384-04-5;Methanesulfonamide, N-(4-chlorophenyl)-1,1,1-trifluoro-;BRN 2127624;N-(4-Chlorophenyl)-1,1,1-trifluoro-methanesulfonamide;C7H5ClF3NO2S;SCHEMBL7524156;DTXSID20177945;C7-H5-Cl-F3-N-O2-S;BBL103840;MFCD00856978;STL557650;AKOS025395531;LS-90102;MS-20711;N-(4-Chlorophenyl)trifluoromethanesulfonamide;N-(4-chlorophenyl)(trifluoro)methanesulfonamide;AF-399/32653057

Chemical Property of N-(4-Chlorophenyl)-1,1,1-trifluoromethanesulfonamide

Chemical Property:

• Vapor Pressure: 0.00899mmHg at 25°C
• Boiling Point: 265.8°C at 760 mmHg
• Flash Point: 114.5°C
• PSA: 54.55000
• Density: 1.64g/cm³
• LogP: 3.75530
• XLogP3: 4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 258.9681618
• Heavy Atom Count: 15
• Complexity: 303

Purity/Quality:

N-(4-CHLOROPHENYL)-1,1,1-TRIFLUOROMETHANESULFONAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1NS(=O)(=O)C(F)(F)F)Cl

Technology Process of N-(4-Chlorophenyl)-1,1,1-trifluoromethanesulfonamide

There total 5 articles about N-(4-Chlorophenyl)-1,1,1-trifluoromethanesulfonamide 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: 53.0%

C10H7ClF3NO2S → N-[4-chlorophenyl]-1,1,1-trifluoromethanesulfonamide (23384-04-5)

Guidance literature:

With dmap; tributylphosphine; In toluene; at 110 ℃; for 20h; Inert atmosphere;

DOI:10.1016/j.tetlet.2018.03.046

Reference yield:

trifluoromethane sulfonyl chloride (421-83-0) + 4-chloro-aniline (106-47-8) → N-[4-chlorophenyl]-1,1,1-trifluoromethanesulfonamide (23384-04-5)

Guidance literature:

In dichloromethane; room temperature, 3 h, reflux, 5 h;

DOI:10.1246/bcsj.57.3601

Reference yield:

trifluoromethylsulfonic anhydride (358-23-6) + 4-chloro-aniline (106-47-8) → N-[4-chlorophenyl]-1,1,1-trifluoromethanesulfonamide (23384-04-5)

Guidance literature:

With triethylamine; In dichloromethane;

DOI:10.1021/jo01337a020

upstream raw materials:

trifluoromethylsulfonic anhydride

4-chloro-aniline

trifluoromethane sulfonyl chloride

triflic azide

Downstream raw materials:

N-(4-Chloro-phenyl)-N-{2-[(4-chloro-phenyl)-trifluoromethanesulfonyl-amino]-2-oxo-acetyl}-C,C,C-trifluoro-methanesulfonamide