3-nitro-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide

Base Information

• Chemical Name: 3-nitro-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
• CAS No.: 312-49-2
• Molecular Formula: C₁₃H₉F₃N₂O₄S
• Molecular Weight: 346.287
• ChEMBL ID: CHEMBL2272658
• DSSTox Substance ID: DTXSID801204851
• Nikkaji Number: J1.858.958C
• Mol file: 312-49-2.mol

Synonyms:3-nitro-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide;312-49-2;3-nitro-N-(4-(trifluoromethyl)phenyl)benzenesulfonamide;SCHEMBL5228757;CHEMBL2272658;LMSKADWWFBBOPJ-UHFFFAOYSA-N;DTXSID801204851;AKOS002167465;Z45686957;3-nitro-N-[4-(trifluoromethyl)phenyl]benzene-1-sulfonamide

Chemical Property of 3-nitro-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide

Chemical Property:

• PSA: 100.37000
• LogP: 5.09140
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 346.02351243
• Heavy Atom Count: 23
• Complexity: 519

Purity/Quality:

99% ^*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)NC2=CC=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Technology Process of 3-nitro-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide

There total 3 articles about 3-nitro-N-[4-(trifluoromethyl)phenyl]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:

4-trifluoromethylphenylamine (455-14-1) + 3-nitrobenzenesulphonyl chloride (121-51-7) → N-(p-Trifluoromethylphenyl)-m-nitrobenzenesulfonamide (312-49-2)

Guidance literature:

With sodium hydride; In tetrahydrofuran; at 0 - 20 ℃;

DOI:10.1271/bbb.66.2677

Reference yield:

ethanol (64-17-5) + N-{1-[(E)-4-Methoxy-phenylimino]-ethyl}-3-nitro-N-(4-trifluoromethyl-phenyl)-benzenesulfonamide (134899-68-6) → ethyl N-(p-methoxyphenyl)acetimidate (72535-68-3) + N-(p-Trifluoromethylphenyl)-m-nitrobenzenesulfonamide (312-49-2)

Guidance literature:

In tetrahydrofuran; ethanol; at 25 ℃; Rate constant; Mechanism;

DOI:10.1248/cpb.39.558

Reference yield:

→ N-(p-Trifluoromethylphenyl)-m-nitrobenzenesulfonamide (312-49-2)

Guidance literature:

/BRN= 3382237/;

DOI:10.1021/jo01130a009

upstream raw materials:

ethanol

N-{1-[(E)-4-Methoxy-phenylimino]-ethyl}-3-nitro-N-(4-trifluoromethyl-phenyl)-benzenesulfonamide

4-trifluoromethylphenylamine

3-nitrobenzenesulphonyl chloride

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 312-49-2 3-Nitro-N-[4-(trifluoroMethyl)phenyl]benzenesulfonaMide, 97%

Send

Send

Metric Ton KG G Pound L ML

Send

Send