Dithianon

Base Information

• Chemical Name: Dithianon
• CAS No.: 3347-22-6
• Deprecated CAS: 11096-35-8,95591-89-2
• Molecular Formula: C14H4N2O2S2
• Molecular Weight: 296.33
• Hs Code.: 29349990
• European Community (EC) Number: 222-098-6
• NSC Number: 218452
• UNII: 3ESS44NI1F
• DSSTox Substance ID: DTXSID8040270
• Nikkaji Number: J4.516K
• Wikidata: Q1230269
• Metabolomics Workbench ID: 45093
• ChEMBL ID: CHEMBL2228641
• Mol file: 3347-22-6.mol

Synonyms:1,4-dithiaanthraquinone-2,3-dicarbonitrile;2,3-dinitrilo-1,4-dithia-9,10-anthraquinone;delan;dithianone

Chemical Property of Dithianon

Chemical Property:

• Appearance/Colour: Gray-brown needles from acetone. Odorless.
• Vapor Pressure: 1.13E-06mmHg at 25°C
• Melting Point: 220oC
• Refractive Index: 1.775
• Boiling Point: 402.1 °C at 760 mmHg
• Flash Point: 197 °C
• PSA: 138.20000
• Density: 1.65 g/cm³
• LogP: 2.15136
• Storage Temp.: 0-6°C
• Water Solubility.: 0.5mg/L(temperature not stated)
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 295.97141972
• Heavy Atom Count: 20
• Complexity: 629

Purity/Quality:

99% ^*data from raw suppliers

Dithianon ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn, N
• Hazard Codes: Xn;N,N,Xn
• Statements: 22-50/53
• Safety Statements: 24-60-61

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Pesticides -> Fungicides
• Canonical SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)SC(=C(S3)C#N)C#N
• Description: Dithianone is an anthraquinone derivative, used as a fungicide. With cymoxanil, it is contained in Aktuan. Cases have been sparsely reported for agricultural workers.
• Uses: Fungicide.

Technology Process of Dithianon

There total 1 articles about Dithianon 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:

→ dithianon (3347-22-6)

Guidance literature:

Di-Na-Salz von 1,2-Dimercapto-1,2-dicyan-aethylen, 2,3-Dichlor-naphthochinon in sd. Ethanol;

Reference yield:

dithianon (3347-22-6) + 4-cyclopropyl-6-methyl-N-phenylpyrimidin-2-amine (121552-61-2) → C14H4N2O2S2*(x)C14H15N3

Guidance literature:

In ethanol; for 0.5h;

Refernces

• 1、 -. "Synergistic Active Compound Combinations Comprising Phenyltriazoles". . . Retrieved 2011/07/29.