2,5-Cyclohexadiene-1,4-diimine, N,N',2-trichloro-

Base Information

• Chemical Name: 2,5-Cyclohexadiene-1,4-diimine, N,N',2-trichloro-
• CAS No.: 3029-59-2
• Molecular Formula: C6H3 Cl3 N2
• Molecular Weight: 209.4604
• UNII: K2EF8D9BEY
• Mol file: 3029-59-2.mol

Synonyms:2,5-Cyclohexadiene-1,4-diimine, N,N',2-trichloro-;NSC 344550;BRN 3254239;N,N',2-Trichloro-2,5-cyclohexadiene-1,4-diimine;3029-59-2;NSC-344550;K2EF8D9BEY;LS-56268;p-Benzoquinonediimine, N,N',2-trichloro-;0-07-00-00631 (Beilstein Handbook Reference);N1,N4,2-Trichloro-2,5-cyclohexadiene-1,4-diimine;2,5-Cyclohexadiene-1,4-diimine, N1,N4,2-trichloro-

Chemical Property of 2,5-Cyclohexadiene-1,4-diimine, N,N',2-trichloro-

Chemical Property:

• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 207.936181
• Heavy Atom Count: 11
• Complexity: 276

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=NCl)C(=CC1=NCl)Cl
• Isomeric SMILES: C\1=C/C(=N\Cl)/C(=C/C1=N/Cl)Cl

Technology Process of 2,5-Cyclohexadiene-1,4-diimine, N,N',2-trichloro-

There total 2 articles about 2,5-Cyclohexadiene-1,4-diimine, N,N',2-trichloro- 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: 67.0%

2-chloro-p-phenylenediamine (615-66-7) → chloro-[1,4]benzoquinone-bis-chlorimin (3029-59-2)

Guidance literature:

With sodium hypochlorite; In water;

Reference yield:

→ chloro-[1,4]benzoquinone-bis-chlorimin (3029-59-2)

Guidance literature:

With hydrogenchloride; calcium chloride;

Reference yield: 34.0%

chloro-[1,4]benzoquinone-bis-chlorimin (3029-59-2) + p-Chlorothiophenol (106-54-7) → 2-chloro-N,N′-bis(4-chlorophenylsulfanyl)-cyclohexa-2,5-diene-1,4-diimine

Guidance literature:

With sodium carbonate; In 1,4-dioxane; water; for 0.5h; Cooling with ice;

DOI:10.1134/S1070428021040084

upstream raw materials:

2-chloro-p-phenylenediamine

Downstream raw materials:

N,N′-(2-chlorocyclohexa-2,5-diene-1,4-diylidene)bis(4-chlorobenzenesulfonamide)

Refernces