1,4-Benzenedicarbonitrile, 2-[(4-chlorophenyl)thio]-

Base Information

• Chemical Name: 1,4-Benzenedicarbonitrile, 2-[(4-chlorophenyl)thio]-
• CAS No.: 51762-74-4
• Molecular Formula: C14H7ClN2S
• Molecular Weight: 270.742
• DSSTox Substance ID: DTXSID40441170
• Wikidata: Q82257806

Synonyms:51762-74-4;1,4-Benzenedicarbonitrile, 2-[(4-chlorophenyl)thio]-;SCHEMBL11634778;DTXSID40441170

Chemical Property of 1,4-Benzenedicarbonitrile, 2-[(4-chlorophenyl)thio]-

Chemical Property:

• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 270.0018471
• Heavy Atom Count: 18
• Complexity: 372

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC=C1SC2=C(C=CC(=C2)C#N)C#N)Cl

Technology Process of 1,4-Benzenedicarbonitrile, 2-[(4-chlorophenyl)thio]-

There total 2 articles about 1,4-Benzenedicarbonitrile, 2-[(4-chlorophenyl)thio]- 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:

2-nitrobenzene-1,4-dicarbonitrile (4193-70-8) + dimethyl sulfoxide (67-68-5,8070-53-9) + p-Chlorothiophenol (106-54-7) → p-Chlorophenylthioterephthalonitrile (51762-74-4)

Guidance literature:

With sodium; In methanol;

Reference yield:

→ p-Chlorophenylthioterephthalonitrile (51762-74-4)

Guidance literature:

Nitro-terephthalonitril, p-Chlorthiophenol, NaOCH3;

Reference yield:

p-Chlorophenylthioterephthalonitrile (51762-74-4) → 2-(4-chloro-phenylsulfanyl)-4-(1(2)H-tetrazol-5-yl)-benzonitrile (51762-75-5)

Guidance literature:

With ammonium chloride; In N-methyl-acetamide; sodium hydrogencarbonate;

upstream raw materials:

2-nitrobenzene-1,4-dicarbonitrile

dimethyl sulfoxide

p-Chlorothiophenol

Downstream raw materials:

2-(4-chloro-phenylsulfanyl)-4-(1⁽²⁾H-tetrazol-5-yl)-benzonitrile

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