Succinylnitrile

Base Information

• Chemical Name: Succinylnitrile
• CAS No.: 63979-84-0
• Molecular Formula: C6H4 N2 O2
• Molecular Weight: 136.11
• Hs Code.: 2926909090
• DSSTox Substance ID: DTXSID10213841
• Nikkaji Number: J90.606I
• Wikidata: Q83089462
• Mol file: 63979-84-0.mol

Synonyms:Succinylnitrile;63979-84-0;Succinyldicyanide;butanedioyl dicyanide;2,5-dioxohexanedinitrile;BRN 1771187;succinyl cyanide;3-03-00-01422 (Beilstein Handbook Reference);KXNKVYYLWIDVCK-UHFFFAOYSA-;DTXSID10213841;InChI=1/C6H4N2O2/c7-3-5(9)1-2-6(10)4-8/h1-2H2

Chemical Property of Succinylnitrile

Chemical Property:

• Vapor Pressure: 0.00412mmHg at 25°C
• Refractive Index: 1.4738 (estimate)
• Boiling Point: 279°Cat760mmHg
• Flash Point: 122.5°C
• PSA: 81.72000
• Density: 1.253g/cm³
• LogP: -0.04804
• XLogP3: -0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 136.027277375
• Heavy Atom Count: 10
• Complexity: 221

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CC(=O)C#N)C(=O)C#N

Technology Process of Succinylnitrile

There total 1 articles about Succinylnitrile 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:

pyridine (110-86-1) + diethyl ether (60-29-7,927820-24-4) + hydrogen cyanide (74-90-8) + succinoyl dichloride (543-20-4) → succinic acid anhydride (108-30-5) + Succinyl Dicyanide (63979-84-0)

Guidance literature:

Reference yield:

Succinyl Dicyanide (63979-84-0) → succinic acid (110-15-6)

Guidance literature:

Verseifung;

Reference yield:

Succinyl Dicyanide (63979-84-0) → C23H35N3O4Si2

Guidance literature:

Multi-step reaction with 3 steps

1: pyridine / benzene / 1 h / Inert atmosphere

2: acetonitrile / 39 h / 100 °C / Inert atmosphere

3: tetrahydrofuran / 1 h / -78 - 20 °C / Inert atmosphere

With pyridine; In tetrahydrofuran; acetonitrile; benzene;

DOI:10.1021/acs.joc.6b02111

upstream raw materials:

pyridine

diethyl ether

hydrogen cyanide

succinoyl dichloride

Downstream raw materials:

N'1,N'4-diphenylsuccinohydrazide

succinic acid