(2-Chlorocyclohexa-2,5-diene-1,4-diylidene)dicyanamide

Base Information

• Chemical Name: (2-Chlorocyclohexa-2,5-diene-1,4-diylidene)dicyanamide
• CAS No.: 98507-08-5
• Molecular Formula: C8H3ClN4
• Molecular Weight: 190.592
• DSSTox Substance ID: DTXSID80543324

Synonyms:98507-08-5;(2-Chlorocyclohexa-2,5-diene-1,4-diylidene)dicyanamide;SCHEMBL14129315;DTXSID80543324

Chemical Property of (2-Chlorocyclohexa-2,5-diene-1,4-diylidene)dicyanamide

Chemical Property:

• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 190.0046238
• Heavy Atom Count: 13
• Complexity: 435

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=NC#N)C(=CC1=NC#N)Cl

Technology Process of (2-Chlorocyclohexa-2,5-diene-1,4-diylidene)dicyanamide

There total 2 articles about (2-Chlorocyclohexa-2,5-diene-1,4-diylidene)dicyanamide 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: 32.0%

2-Chloro-1,4-benzoquinone (695-99-8) + bis(trimethylsilyl)carbodi-imide (1000-70-0) → 2-Chloro-N,N'-dicyano-1,4-benzoquinonediimine (98507-08-5,105381-57-5,105381-58-6)

Guidance literature:

With titanium tetrachloride; In dichloromethane; for 3h;

Reference yield: 19.0%

bistrimethylsilylcarbodiimide → 2-Chlor-N,N'-dicyan-1,4-benzochinondiimin (98507-08-5)

Guidance literature:

In dichloromethane;

Reference yield: 99.0%

tetrathiafulvalene (31366-25-3) + 2-Chlor-N,N'-dicyan-1,4-benzochinondiimin (98507-08-5) → 2-(1,3-Dithiol-2-yliden)-1,3-dithiol, CT-Komplex mit 2-Chlor-N,N'-dicyan-1,4-benzochinondiimin (1:1) (98507-34-7)

Guidance literature:

In acetonitrile; at 20 ℃;

upstream raw materials:

2-Chloro-1,4-benzoquinone

bis(trimethylsilyl)carbodi-imide

Downstream raw materials:

2-(1,3-Dithiol-2-yliden)-1,3-dithiol, CT-Komplex mit 2-Chlor-N,N'-dicyan-1,4-benzochinondiimin (1:1)

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