2,3-dichlorobut-2-enedinitrile

Base Information

• Chemical Name: 2,3-dichlorobut-2-enedinitrile
• CAS No.: 6613-48-5
• Molecular Formula: C4Cl2N2
• Molecular Weight: 146.963
• NSC Number: 527167,527166
• DSSTox Substance ID: DTXSID501044408
• Wikidata: Q76149742
• Mol file: 6613-48-5.mol

Synonyms:Dichlorofumaronitrile;Fumaronitrile, dichloro-;2-Butenedinitrile, 2,3-dichloro-, (E)-;(E)-2,3-Dichloro-2-butenedinitrile;6613-49-6;C4Cl2N2;SCHEMBL101581;SCHEMBL102141;C4-Cl2-N2;DTXSID501044408;NSC527166;NSC527167;Fumaronitrile, dichloro- (7CI,8CI);(2E)-2,3-Dichloro-2-butenedinitrile;2-Butenedinitrile,3-dichloro-, (E)-;NSC 527166;NSC-527166;NSC-527167;LS-46983

Chemical Property of 2,3-dichlorobut-2-enedinitrile

Chemical Property:

• Vapor Pressure: 2.39mmHg at 25°C
• Boiling Point: 160.4°Cat760mmHg
• Flash Point: 50.6°C
• Density: 1.51g/cm³
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 145.9438534
• Heavy Atom Count: 8
• Complexity: 187

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(#N)C(=C(C#N)Cl)Cl
• Isomeric SMILES: C(#N)/C(=C(/C#N)\Cl)/Cl

Technology Process of 2,3-dichlorobut-2-enedinitrile

There total 2 articles about 2,3-dichlorobut-2-enedinitrile 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:

butanedinitrile (110-61-2) → maleonitrile (928-53-0,764-42-1,17656-09-6,62600-65-1,62742-11-4) + monochloromaleonitrile (6910-76-5) + chlorofumarodinitrile (71200-79-8) + dichloromaleonitrile (6613-48-5) + dichloro fumaric acid dinitrile (6613-49-6) + 1,2-Dicyanoethylene (764-42-1)

Guidance literature:

With chlorine; at 120 ℃; for 11h;

Reference yield:

butanedinitrile (110-61-2) → maleonitrile (928-53-0,764-42-1,17656-09-6,62600-65-1,62742-11-4) + monochloromaleonitrile (6910-76-5) + chlorofumarodinitrile (71200-79-8) + dichloromaleonitrile (6613-48-5) + dichloro fumaric acid dinitrile (6613-49-6)

Guidance literature:

With chlorine; at 120 ℃; for 16h;

Reference yield:

hydrogenchloride (7647-01-0,15364-23-5) + dichloromaleonitrile (6613-48-5) → dichloromaleic acid anhydride (1122-17-4)

Guidance literature:

je nach den Versuchsbedingungen;

upstream raw materials:

butanedinitrile

Downstream raw materials:

dichloromaleic acid anhydride

3,4-dichloro-5-cyanoisothiazole

Refernces