Ethylmalononitrile

Base Information

• Chemical Name: Ethylmalononitrile
• CAS No.: 3696-37-5
• Molecular Formula: C5H6N2
• Molecular Weight: 94.116
• Hs Code.: 2926909090
• European Community (EC) Number: 808-882-6
• DSSTox Substance ID: DTXSID60190456
• Nikkaji Number: J2.293.338H
• Wikidata: Q83062818
• Mol file: 3696-37-5.mol

Synonyms:Ethylmalononitrile;2-ethylpropanedinitrile;3696-37-5;Ethylpropanedinitrile;MALONONITRILE, ETHYL-;Propanedinitrile, ethyl-;Aethyl-malonitril;Aethyl-malonitril [German];BRN 1741523;Dicyanopropane;2-ethylmalononitrile;DTXSID60190456;AKOS009029171;LS-88934;FT-0730156;EN300-19174

Chemical Property of Ethylmalononitrile

Chemical Property:

• Vapor Pressure: 0.298mmHg at 25°C
• Boiling Point: 202.1°C at 760 mmHg
• Flash Point: 85.9°C
• PSA: 47.58000
• Density: 0.958g/cm³
• LogP: 1.05976
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 94.053098200
• Heavy Atom Count: 7
• Complexity: 115

Purity/Quality:

97% ^*data from raw suppliers

2-ETHYLPROPANEDINITRILE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C#N)C#N

Technology Process of Ethylmalononitrile

There total 3 articles about Ethylmalononitrile 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:

Ethyl(1,1,dimethylpropyl)malonsaeuredinitril (85688-95-5) → methylbutane (78-78-4) + 2-ethylmalononitrile (3696-37-5)

Guidance literature:

With 9,10-dihydroanthracene; 1,3,5-trimethyl-benzene; at 398.2 ℃; Kinetics; Thermodynamic data; thermolysis, ΔG(excit.), ΔH(excit.), ΔS(excit.);

Reference yield:

bromomalononitrile (1885-22-9) + triethyl borane (97-94-9) → 2-ethylmalononitrile (3696-37-5)

Guidance literature:

With 2,6-di-tert-butylphenol;

Reference yield:

ethyl iodide (75-03-6) + malononitrile (109-77-3) → 2-ethylmalononitrile (3696-37-5) + 2,2-diethyl-malononitrile (28118-33-4)

Guidance literature:

With sodium hydride; Yield given. Multistep reaction. Yields of byproduct given; 1.) DME, 2.) 3 h, heating;

upstream raw materials:

bromomalononitrile

triethyl borane

Ethyl(1,1,dimethylpropyl)malonsaeuredinitril

ethyl iodide

Downstream raw materials:

5-ethyl-pyrimidine-2,4,6-triamine

2-ethyl-2-(2-nitro-1-phenylethyl)malononitrile

2-ethyl-2-(4-methoxyphenyl)malononitrile

2-ethyl-2-(4-fluorophenyl)malononitrile