Dichloromalononitrile

Base Information

• Chemical Name: Dichloromalononitrile
• CAS No.: 13063-43-9
• Molecular Formula: C3Cl2 N2
• Molecular Weight: 134.952
• Hs Code.: 29269095
• European Community (EC) Number: 235-955-4
• NSC Number: 89686
• UNII: RWI9UI6QBX
• DSSTox Substance ID: DTXSID8073396
• Nikkaji Number: J48.711B
• Wikidata: Q82001805
• Mol file: 13063-43-9.mol

Synonyms:Dichloromalononitrile;13063-43-9;Propanedinitrile, dichloro-;Dichlorodicyanomethane;2,2-dichloropropanedinitrile;MALONONITRILE, DICHLORO-;2,2-Dichloromalononitrile;Propanedinitrile,2,2-dichloro-;dichloropropanedinitrile;Propanedinitrile, 2,2-dichloro-;RWI9UI6QBX;EINECS 235-955-4;NSC 89686;BRN 0906848;CP 51495;NSC-89686;3-02-00-01638 (Beilstein Handbook Reference);Dichloromalonitrile;MFCD00001841;dichloromalonodinitrile;WLN: NCXGGCN;UNII-RWI9UI6QBX;C3Cl2N2;2,2-Dichloro-Malononitrile;2,2-Dichloromalononitrile #;C3-Cl2-N2;SCHEMBL2851630;DTXSID8073396;NSC89686;BBL027359;STK802372;AKOS005622673;LS-88909;VS-08532;CS-0444376;FT-0624715;A806115

Chemical Property of Dichloromalononitrile

Chemical Property:

• Appearance/Colour: clear yellow to light brown liquid
• Vapor Pressure: 42.5mmHg at 25°C
• Refractive Index: n20/D 1.431(lit.)
• Boiling Point: 97 °C(lit.)
• Flash Point: >230 °F
• PSA: 47.58000
• Density: 1.312 g/mL at 25 °C(lit.)
• LogP: 1.20746
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 133.9438534
• Heavy Atom Count: 7
• Complexity: 136

Purity/Quality:

98%min ^*data from raw suppliers

DICHLOROMALONONITRILE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn,T
• Statements: 20/21/22-36/37/38-36-23/24/25
• Safety Statements: 26-27-37/39-45-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(#N)C(C#N)(Cl)Cl

Technology Process of Dichloromalononitrile

There total 4 articles about Dichloromalononitrile 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:

malononitrile (109-77-3) → dichloromalononitrile (13063-43-9)

Guidance literature:

With chlorine;

Reference yield:

dimethylsulfonium dicyanomethylide (5362-78-7) → dichloromalononitrile (13063-43-9)

Guidance literature:

With disulfur dichloride;

Reference yield:

water (7732-18-5) + chlorine (7782-50-5) + malononitrile (109-77-3) → dichloromalononitrile (13063-43-9)

Guidance literature:

upstream raw materials:

malononitrile

dimethylsulfonium dicyanomethylide

water

chlorine

Downstream raw materials:

C₁₀H₄Cl₆N₂O

2,2-dichloro-1,1,1,3,3,3-hexafluoro-propane

2-Chloro-F-propane

1,2-dichlorohexafluoropropane