2,3,5,6-Tetrachlorobenzonitrile

Base Information

• Chemical Name: 2,3,5,6-Tetrachlorobenzonitrile
• CAS No.: 1897-46-7
• Molecular Formula: C₇HCl₄N
• Molecular Weight: 240.904
• DSSTox Substance ID: DTXSID301305084
• Nikkaji Number: J902.388G

Synonyms:2,3,5,6-TETRACHLOROBENZONITRILE;SCHEMBL4736891;USMSRVCGFPCDKH-UHFFFAOYSA-N;DTXSID301305084;1897-46-7

Chemical Property of 2,3,5,6-Tetrachlorobenzonitrile

Chemical Property:

• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 240.883360
• Heavy Atom Count: 12
• Complexity: 197

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=C(C(=C(C(=C1Cl)Cl)C#N)Cl)Cl

Technology Process of 2,3,5,6-Tetrachlorobenzonitrile

There total 4 articles about 2,3,5,6-Tetrachlorobenzonitrile 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: 93.5%

2,3,5,6-tetrachlorobenzyl chloride (4681-19-0) → 2,3,5,6-tetrachlorobenzonitrile (1897-46-7)

Guidance literature:

With ammonia; VSb_0.2B_0.6Mo_0.3P_0.5K_0.2O_6.15; at 349.84 ℃; for 8h; Reagent/catalyst;

Reference yield: 63.0%

2,3,5,6-tetrachloroaniline (3481-20-7) + copper(I) cyanide (544-92-3) → 2,3,5,6-tetrachlorobenzonitrile (1897-46-7)

Guidance literature:

With tert.-butylnitrite; In dimethyl sulfoxide; at 50 ℃; for 2h;

Reference yield:

benzonitrile (100-47-0) → 2,3,5,6-tetrachlorobenzonitrile (1897-46-7)

Guidance literature:

With p-bromophenylboronic acid pinacol ester; at 110 - 120 ℃; for 4h; Time; Inert atmosphere;

upstream raw materials:

2,3,5,6-tetrachloroaniline

copper(I) cyanide

benzonitrile

2,3,5,6-tetrachlorobenzyl chloride

Downstream raw materials:

C₁₈H₁₈Cl₄N₂

2,3,5,6-tetrafluorobenzonitrile

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