2,4-Dinitro-1-[(trifluoromethanesulfonyl)methyl]benzene

Base Information

• Chemical Name: 2,4-Dinitro-1-[(trifluoromethanesulfonyl)methyl]benzene
• CAS No.: 194222-87-2
• Molecular Formula: C8H5F3N2O6S
• Molecular Weight: 314.199
• DSSTox Substance ID: DTXSID60571483
• Nikkaji Number: J873.424K
• Wikidata: Q82459575
• Mol file: 194222-87-2.mol

Synonyms:194222-87-2;2,4-Dinitro-1-[(trifluoromethanesulfonyl)methyl]benzene;DTXSID60571483

Chemical Property of 2,4-Dinitro-1-[(trifluoromethanesulfonyl)methyl]benzene

Chemical Property:

• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 2
• Exact Mass: 313.98204154
• Heavy Atom Count: 20
• Complexity: 488

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])CS(=O)(=O)C(F)(F)F

Technology Process of 2,4-Dinitro-1-[(trifluoromethanesulfonyl)methyl]benzene

There total 2 articles about 2,4-Dinitro-1-[(trifluoromethanesulfonyl)methyl]benzene 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: 63.0%

(2,4-Dinitro-phenyl)-trifluoromethanesulfonyl-acetic acid ethyl ester → 2,4-Dinitro-1-trifluoromethanesulfonylmethyl-benzene (194222-87-2)

Guidance literature:

With sulfuric acid; acetic acid; In water; at 100 ℃; for 8h;

DOI:10.1055/s-1997-1390

Reference yield:

2,4-Dinitrofluorobenzene (70-34-8,65727-75-5) → 2,4-Dinitro-1-trifluoromethanesulfonylmethyl-benzene (194222-87-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) t-BuOK / 1.) DMF, 10 min, 2.) DMF, RT, 48 h

2: 63 percent / H₂SO₄, HOAc / H₂O / 8 h / 100 °C

With sulfuric acid; potassium tert-butylate; acetic acid; In water;

DOI:10.1055/s-1997-1390

Reference yield:

2,4-Dinitro-1-trifluoromethanesulfonylmethyl-benzene (194222-87-2) → C8H4F3N2O6S(1-)

Guidance literature:

With 2-aminoacetonitrile; In water; dimethyl sulfoxide; at 25 ℃; Rate constant; other buffering amines; protonation equilibrium;

DOI:10.1021/ja9806074

upstream raw materials:

2,4-Dinitrofluorobenzene

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 194222-87-2 Benzene, 2,4-dinitro-1-[[(trifluoromethyl)sulfonyl]methyl]-

Send

Send

Metric Ton KG G Pound L ML

Send

Send