3,5-Bis(trifluoromethyl)benzenesulfonamide

Base Information

• Chemical Name: 3,5-Bis(trifluoromethyl)benzenesulfonamide
• CAS No.: 39213-22-4
• Molecular Formula: C8H5F6NO2S
• Molecular Weight: 293.19
• Hs Code.: 2935009090
• European Community (EC) Number: 672-818-1
• DSSTox Substance ID: DTXSID20382476
• Wikidata: Q82173836
• Mol file: 39213-22-4.mol

Synonyms:3,5-bis(trifluoromethyl)benzenesulfonamide;39213-22-4;3,5-bis(trifluoromethyl)benzene-1-sulfonamide;3,5-bis(trifluoromethyl)benzene sulphonamide;SCHEMBL2920504;DTXSID20382476;CCG-41139;GS0500;MFCD01935138;AKOS000143242;SB82228;BS-17005;3,5-bis-trifluoromethyl-benzenesulfonamide;3,5-bis(trifluoromethyl)-benzenesulfonamide;3,5-Bis-trifluoromethyl-benzene sulfonamide;CS-0079655;FT-0712373;D83056;EN300-195407;SR-01000631236-1;Z45415619

Chemical Property of 3,5-Bis(trifluoromethyl)benzenesulfonamide

Chemical Property:

• Melting Point: 180-182°C
• PSA: 68.54000
• LogP: 4.15270
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 1
• Exact Mass: 292.99451855
• Heavy Atom Count: 18
• Complexity: 373

Purity/Quality:

97% ^*data from raw suppliers

3,5-bis(Trifluoromethyl)benzene-1-sulfonamide ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C=C1C(F)(F)F)S(=O)(=O)N)C(F)(F)F

Technology Process of 3,5-Bis(trifluoromethyl)benzenesulfonamide

There total 3 articles about 3,5-Bis(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: 98.0%

3,5-bis(trifluoromethyl)benzenesulfonyl chloride (39234-86-1) → 3,5-bis(trifluoromethyl)benzenesulfonamide (39213-22-4)

Guidance literature:

With ammonia; triethylamine; In water; N,N-dimethyl-formamide; at 20 ℃; for 16h;

DOI:10.1002/ejoc.201001439

Reference yield:

3,5-bis(trifluoromethyl)benzenesulfonyl chloride (39234-86-1) + pyrographite (7440-44-0) → 3,5-bis(trifluoromethyl)benzenesulfonamide (39213-22-4)

Guidance literature:

With ammonia; In carbon dioxide; water; acetic acid;

Reference yield:

→ 3,5-bis(trifluoromethyl)benzenesulfonamide (39213-22-4)

Guidance literature:

upstream raw materials:

3,5-bis(trifluoromethyl)benzenesulfonyl chloride

pyrographite

Downstream raw materials:

N-[1-(4-Chloro-phenylamino)-1-methylsulfanyl-meth-(Z)-ylidene]-3,5-bis-trifluoromethyl-benzenesulfonamide

4-(3,5-bis-trifluoromethyl-benzenesulfonylaminocarbonyl)-piperidine-1-carboxylic acid tert-butyl ester

[4-[2-(3,5-bis-trifluoromethyl-benzenesulfonylamino)-2-oxo-ethyl]-cyclohexyl]-carbamic acid tert-butyl ester

10-(3,5-bis-trifluoromethyl-benzenesulfonylaminocarbonyl)-8-aza-bicyclo[4.3.1]decane-8-carboxylic acid tert-butyl ester