Piperazine-1,4-dicarbonitrile

Base Information

• Chemical Name: Piperazine-1,4-dicarbonitrile
• CAS No.: 22005-33-0
• Molecular Formula: C6H8N4
• Molecular Weight: 136.156
• Hs Code.: 2933599090
• European Community (EC) Number: 244-713-7
• DSSTox Substance ID: DTXSID90176445
• Nikkaji Number: J225.510C
• Wikidata: Q83046775
• Mol file: 22005-33-0.mol

Synonyms:Piperazine-1,4-dicarbonitrile;1,4-Piperazinedicarbonitrile;22005-33-0;1,4-Dicyanopiperazine #;SCHEMBL5996095;DTXSID90176445;EINECS 244-713-7

Chemical Property of Piperazine-1,4-dicarbonitrile

Chemical Property:

• Vapor Pressure: 2.3E-07mmHg at 25°C
• Refractive Index: 1.555
• Boiling Point: 423.1 °C at 760 mmHg
• Flash Point: 213.6 °C
• PSA: 54.06000
• Density: 1.23 g/cm³
• LogP: -0.55804
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 136.074896272
• Heavy Atom Count: 10
• Complexity: 172

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCN1C#N)C#N

Technology Process of Piperazine-1,4-dicarbonitrile

There total 3 articles about Piperazine-1,4-dicarbonitrile 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: 75.0%

piperazine (110-85-0) + bromocyane (506-68-3) → 1,4-piperazinedicarbonitrile (22005-33-0)

Guidance literature:

With sodium hydrogencarbonate; In dichloromethane; water; at 0 - 20 ℃; for 2.5h;

DOI:10.1039/d1ce00394a

Reference yield:

piperazine (110-85-0) → 1,4-piperazinedicarbonitrile (22005-33-0)

Guidance literature:

With potassium carbonate; In acetonitrile; for 12h; Heating;

Reference yield:

→ 1,4-piperazinedicarbonitrile (22005-33-0)

Guidance literature:

Piperazin, BrCN;

DOI:10.1007/BF00929755

upstream raw materials:

piperazine

bromocyane