1H-Tetrazole, 5-(((3,5-dinitrophenyl)methyl)thio)-1-phenyl-

Base Information

• Chemical Name: 1H-Tetrazole, 5-(((3,5-dinitrophenyl)methyl)thio)-1-phenyl-
• CAS No.: 81645-87-6
• Molecular Formula: C14H10 N6 O4 S
• Molecular Weight: 358.337
• DSSTox Substance ID: DTXSID3072872
• Nikkaji Number: J453.539A
• Wikidata: Q82001140
• ChEMBL ID: CHEMBL3298536

Synonyms:81645-87-6;1H-Tetrazole, 5-(((3,5-dinitrophenyl)methyl)thio)-1-phenyl-;1H-Tetrazole, 5-[[(3,5-dinitrophenyl)methyl]thio]-1-phenyl-;CHEMBL3298536;DTXSID3072872;C14H10N6O4S;C14-H10-N6-O4-S;5-[(3,5-dinitrophenyl)methylsulfanyl]-1-phenyl-tetrazole;5-[[(3,5-Dinitrophenyl)methyl]thio]-1-phenyl-1H-tetrazole

Chemical Property of 1H-Tetrazole, 5-(((3,5-dinitrophenyl)methyl)thio)-1-phenyl-

Chemical Property:

• Vapor Pressure: 1.05E-14mmHg at 25°C
• Boiling Point: 607.5°C at 760 mmHg
• Flash Point: 321.2°C
• Density: 1.6g/cm³
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 358.04842400
• Heavy Atom Count: 25
• Complexity: 459

Purity/Quality:

99% ，98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)N2C(=NN=N2)SCC3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Technology Process of 1H-Tetrazole, 5-(((3,5-dinitrophenyl)methyl)thio)-1-phenyl-

There total 1 articles about 1H-Tetrazole, 5-(((3,5-dinitrophenyl)methyl)thio)-1-phenyl- 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: 86.0%

1-Phenyl-1H-tetrazole-5-thiol (86-93-1) → 5-[(3,5-dinitrobenzyl)sulfanyl]-1-phenyl-1H-tetrazole (81645-87-6)

Guidance literature:

With triethylamine; In acetonitrile; at 20 ℃;

DOI:10.1016/j.ejmech.2014.05.069

Reference yield: 85.0%

5-[(3,5-dinitrobenzyl)sulfanyl]-1-phenyl-1H-tetrazole (81645-87-6) → 5-[(3,5-dinitrobenzyl)sulfonyl]-1-phenyl-1H-tetrazole (1618101-28-2)

Guidance literature:

With dihydrogen peroxide; In acetic acid; at 70 ℃; for 6h;

DOI:10.1016/j.ejmech.2014.05.069

Reference yield: 60.0%

5-[(3,5-dinitrobenzyl)sulfanyl]-1-phenyl-1H-tetrazole (81645-87-6) → 5-[(3,5-dinitrobenzyl)sulfinyl]-1-phenyl-1H-tetrazole (1618101-24-8)

Guidance literature:

With dihydrogen peroxide; In acetic acid; at 45 ℃; for 4h;

DOI:10.1016/j.ejmech.2014.05.069

upstream raw materials:

1-Phenyl-1H-tetrazole-5-thiol

Downstream raw materials:

5-[(3,5-dinitrobenzyl)sulfinyl]-1-phenyl-1H-tetrazole

5-[(3,5-dinitrobenzyl)sulfonyl]-1-phenyl-1H-tetrazole

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

✦Write with AI

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 81645-87-6 5-[(3,5-dinitrobenzyl)sulfanyl]-1-phenyl-1H-tetrazole

Send

Send

Metric Ton KG G Pound L ML

Send

Send