2-(Trifluoromethyl)benzenesulfonamide

Base Information

• Chemical Name: 2-(Trifluoromethyl)benzenesulfonamide
• CAS No.: 1869-24-5
• Molecular Formula: C7H6F3NO2S
• Molecular Weight: 225.191
• Hs Code.: 29350090
• European Community (EC) Number: 700-280-0,606-099-2
• DSSTox Substance ID: DTXSID80380751
• Wikidata: Q63391601
• Mol file: 1869-24-5.mol

Synonyms:2-(Trifluoromethyl)benzenesulfonamide;1869-24-5;2-(trifluoromethyl)benzene-1-sulfonamide;o-trifluoromethylbenzenesulfonamide;2-trifluoromethylbenzenesulfonamide;2-(trifluoromethyl)benzenesulphonamide;Benzenesulfonamide, 2-(trifluoromethyl)-;2-trifluoromethyl-benzenesulfonamide;MFCD00042420;EC 700-280-0;2-(trifluoromethyl) benzenesulfonamide;SCHEMBL302570;DTXSID80380751;2-(trifluoromethyl)-benzenesulfonamide;AKOS000147783;DS-2462;PS-7779;SB79900;SY016868;2-(Trifluoromethyl)benzenesulfonamide, 97%;A4134;FT-0608954;T3368;EN300-26992;O10544;J-012019;Q63391601;Z45415580

Chemical Property of 2-(Trifluoromethyl)benzenesulfonamide

Chemical Property:

• Vapor Pressure: 0.000316mmHg at 25°C
• Melting Point: 180-184 °C(lit.)
• Refractive Index: 1.493
• Boiling Point: 320.5 °C at 760 mmHg
• PKA: 9.55±0.60(Predicted)
• Flash Point: 147.7 °C
• PSA: 68.54000
• Density: 1.482 g/cm³
• LogP: 3.13390
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: soluble in Methanol
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 225.00713409
• Heavy Atom Count: 14
• Complexity: 293

Purity/Quality:

99.9% ^*data from raw suppliers

2-(Trifluoromethyl)benzenesulfonamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 22
• Safety Statements: 22-24/25-36

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-(Trifluoromethyl)benzenesulfonamide

There total 4 articles about 2-(Trifluoromethyl)benzenesulfonamide 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: 95.6%

2-trifluoromethylbenzenesulfonyl chloride (776-04-5) → 2-trifluoromethyl-benzenesulphonamide (1869-24-5)

Guidance literature:

Reference yield: 56.0%

o-trifluoromethylbenzenethiol (13333-97-6) → 2-trifluoromethyl-benzenesulphonamide (1869-24-5)

Guidance literature:

With [bis(acetoxy)iodo]benzene; ammonium carbamate; In methanol; at 25 ℃; for 24h; chemoselective reaction; Inert atmosphere;

DOI:10.1021/acs.orglett.8b00788

Reference yield:

2-trifluoromethylbenzene thioacetate → 2-trifluoromethyl-benzenesulphonamide (1869-24-5)

Guidance literature:

With oxygen; ammonium chloride; In water; acetonitrile; at 25 ℃; for 24h; chemoselective reaction; Irradiation;

DOI:10.1002/anie.202106183

upstream raw materials:

2-trifluoromethylbenzenesulfonyl chloride

o-trifluoromethylbenzenethiol

Downstream raw materials:

N-[(2-Trifluoromethylphenyl)sulfonyl]-5-methoxy-2-pyridinecarboxamide

N-methyl-2-(trifluoromethyl)benzenesulfonamide

Refernces

• 1、 Antonietti, Markus,Guldi, Dirk M.,Markushyna, Yevheniia,Savateev, Aleksandr,Schü?lbauer, Christoph M.,Ullrich, Tobias. "Chromoselective Synthesis of Sulfonyl Chlorides and Sulfonamides with Potassium Poly(heptazine imide) Photocatalyst". supporting information. p. 20543 - 20550. Retrieved 2021/08/12.
• 2、 Patil, Vikas,Kale, Manoj,Raichurkar, Anandkumar,Bhaskar, Brahatheeswaran,Prahlad, Dwarakanath,Balganesh, Meenakshi,Nandan, Santosh,Shahul Hameed. "Design and synthesis of triazolopyrimidine acylsulfonamides as novel anti-mycobacterial leads acting through inhibition of acetohydroxyacid synthase". supporting information. p. 2222 - 2225. Retrieved 2014/05/06.