Benzodithiete

Base Information

• Chemical Name: Benzodithiete
• CAS No.: 81044-78-2
• Molecular Formula: C₆H₄S₂
• Molecular Weight: 140.23
• DSSTox Substance ID: DTXSID80230868
• Nikkaji Number: J771.601J
• Wikidata: Q83111609
• Mol file: 81044-78-2.mol

Synonyms:Benzodithiete;81044-78-2;7,8-dithiabicyclo[4.2.0]octa-1,3,5-triene;phenylene disulfide;SCHEMBL3107062;DTXSID80230868

Chemical Property of Benzodithiete

Chemical Property:

• Vapor Pressure: 2.24mmHg at 25°C
• Boiling Point: 167.4°C at 760 mmHg
• Flash Point: 36.6°C
• Density: 1.367g/cm³
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 139.97544247
• Heavy Atom Count: 8
• Complexity: 80.5

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)SS2

Technology Process of Benzodithiete

There total 4 articles about Benzodithiete 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:

Thianthrene (92-85-3) → benzodithiete radical cation (81044-78-2)

Guidance literature:

With disulfur dichloride; aluminium trichloride; In dichloromethane; at -196 ℃;

Reference yield:

diphenyldisulfane (882-33-7) → thianthrene cation radical (34507-27-2) + benzodithiete radical cation (81044-78-2)

Guidance literature:

With aluminium trichloride; In dichloromethane; at -60 - 20 ℃; other para-substituted diphenyl disulphides;

Reference yield:

benzene-1,2-bis(sulphenyl chloride) (30818-49-6) → benzodithiete (81044-78-2)

Guidance literature:

In gas; at 446.9 ℃; Product distribution; thermal fragmentation; further 1,2-dithio-benzene derivatives;

upstream raw materials:

benzene-1,2-bis(sulphenyl chloride)

diphenyldisulfane

Thianthrene

benzene