(1Z)-4-chloro-N-[(Z)-[(4-chlorophenyl)-cyanomethylidene]amino]benzenecarboximidoyl cyanide

Base Information

• Chemical Name: (1Z)-4-chloro-N-[(Z)-[(4-chlorophenyl)-cyanomethylidene]amino]benzenecarboximidoyl cyanide
• CAS No.: 80403-23-2
• Molecular Formula: C16H8Cl2N4
• Molecular Weight: 327.172
• NSC Number: 351378
• DSSTox Substance ID: DTXSID20429810

Synonyms:NSC351378;80403-23-2;DTXSID20429810;NSC-351378

Chemical Property of (1Z)-4-chloro-N-[(Z)-[(4-chlorophenyl)-cyanomethylidene]amino]benzenecarboximidoyl cyanide

Chemical Property:

• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 326.0126017
• Heavy Atom Count: 22
• Complexity: 485

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(=CC=C1C(=NN=C(C#N)C2=CC=C(C=C2)Cl)C#N)Cl
• Isomeric SMILES: C1=CC(=CC=C1/C(=N/N=C(/C2=CC=C(C=C2)Cl)\C#N)/C#N)Cl

Technology Process of (1Z)-4-chloro-N-[(Z)-[(4-chlorophenyl)-cyanomethylidene]amino]benzenecarboximidoyl cyanide

There total 1 articles about (1Z)-4-chloro-N-[(Z)-[(4-chlorophenyl)-cyanomethylidene]amino]benzenecarboximidoyl cyanide 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: 56.0%

Bromo-(4-chloro-phenyl)-ethylsulfanyl-acetonitrile (80403-21-0) → (4-Chloro-phenyl)-{[1-(4-chloro-phenyl)-1-cyano-meth-(Z)-ylidene]-hydrazono}-acetonitrile (80403-23-2)

Guidance literature:

With hydrazine; In acetonitrile;

DOI:10.1016/S0040-4039(01)81968-7

Reference yield: 93.0%

(4-Chloro-phenyl)-{[1-(4-chloro-phenyl)-1-cyano-meth-(Z)-ylidene]-hydrazono}-acetonitrile (80403-23-2) → 4-Chloro-benzoic acid [1-(4-chloro-phenyl)-1-cyano-meth-(Z)-ylidene]-hydrazide (80403-32-3)

Guidance literature:

With sodium hydroxide; In dimethyl sulfoxide; for 0.166667h; Ambient temperature;

DOI:10.1016/S0040-4039(01)81968-7

Reference yield: 62.0%

(4-Chloro-phenyl)-{[1-(4-chloro-phenyl)-1-cyano-meth-(Z)-ylidene]-hydrazono}-acetonitrile (80403-23-2) → 3,6-Bis-(4-chloro-phenyl)-[1,2,4]triazin-5-ol (80403-29-8)

Guidance literature:

With sodium hydroxide; In dimethyl sulfoxide; at 100 - 110 ℃; for 2.5h;

DOI:10.1016/S0040-4039(01)81968-7

upstream raw materials:

Bromo-(4-chloro-phenyl)-ethylsulfanyl-acetonitrile

Downstream raw materials:

3,6-Bis-(4-chloro-phenyl)-[1,2,4]triazin-5-ol

4-Chloro-benzoic acid [1-(4-chloro-phenyl)-1-cyano-meth-(Z)-ylidene]-hydrazide

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