1,2,3,5-Dithiadiazol-1-ium, 4-phenyl-, chloride

Base Information

• Chemical Name: 1,2,3,5-Dithiadiazol-1-ium, 4-phenyl-, chloride
• CAS No.: 63481-05-0
• Molecular Formula: C7H5N2S2.Cl
• Molecular Weight: 216.715
• DSSTox Substance ID: DTXSID40449272
• Mol file: 63481-05-0.mol

Synonyms:1,2,3,5-Dithiadiazol-1-ium, 4-phenyl-, chloride;63481-05-0;DTXSID40449272

Chemical Property of 1,2,3,5-Dithiadiazol-1-ium, 4-phenyl-, chloride

Chemical Property:

• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 215.9582682
• Heavy Atom Count: 12
• Complexity: 120

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=NS[S+]=N2.[Cl-]

Technology Process of 1,2,3,5-Dithiadiazol-1-ium, 4-phenyl-, chloride

There total 13 articles about 1,2,3,5-Dithiadiazol-1-ium, 4-phenyl-, chloride 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: 92.0%

→ 4-phenyl-1,2-dithia-3,5-diazolium chloride (63481-05-0)

Guidance literature:

With oxalyl dichloride; In toluene;

DOI:10.1039/c39930000919

Reference yield: 85.0%

bis(5-phenyl-1,3-2,4,6-dithiatriazine) (98990-55-7) → 4-phenyl-1,2-dithia-3,5-diazolium chloride (63481-05-0) + 5-phenyl-1,3-dichloro-1,3,2,4,6-dithiatriazine (98990-57-9,99835-03-7) + 1-chloro-3,5-diphenyl-1,2,4,6-thiatriazine (94426-38-7)

Guidance literature:

With chlorine; In tetrachloromethane; for 3h;

DOI:10.1021/ja00311a081

Reference yield: 83.0%

4-phenyl-1,2,3,5-dithiadiazole dimer → 4-phenyl-1,2-dithia-3,5-diazolium chloride (63481-05-0)

Guidance literature:

With sulfuryl dichloride; for 1h; Ambient temperature;

upstream raw materials:

benzonitrile

benzaldehyde benzylidenehydrazone

N,N,N'-tris(trimethylsilyl)benzamidine

bis(5-phenyl-1,3-2,4,6-dithiatriazine)

Downstream raw materials:

3,7-Diphenyl-1λ⁴,5,2,4,6,8-dithiatetrazocin

4-Phenyl-1,2,3,5-dithiadiazolium-hexafluoroarsenat

4-phenyl-1,2,3,5-dithiadiazolyl radical

4-phenyl-1,2,3,5-dithiadiazolium bromide