2,3-Dichloro-2-methylpropanenitrile

Base Information

• Chemical Name: 2,3-Dichloro-2-methylpropanenitrile
• CAS No.: 6092-39-3
• Molecular Formula: C4H5 Cl2 N
• Molecular Weight: 137.996
• Hs Code.: 2926909090
• European Community (EC) Number: 228-035-9
• DSSTox Substance ID: DTXSID40976391
• Nikkaji Number: J227.291A
• Mol file: 6092-39-3.mol

Synonyms:2,3-dichloro-2-methylpropanenitrile;6092-39-3;2,3-Dichloro-2-methylpropiononitrile;EINECS 228-035-9;C4H5Cl2N;C4-H5-Cl2-N;SCHEMBL10535005;DTXSID40976391;AKOS006237215

Chemical Property of 2,3-Dichloro-2-methylpropanenitrile

Chemical Property:

• Vapor Pressure: 0.356mmHg at 25°C
• Boiling Point: 198.6°C at 760 mmHg
• Flash Point: 78.8°C
• PSA: 23.79000
• Density: 1.245g/cm³
• LogP: 1.74628
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 136.9799046
• Heavy Atom Count: 7
• Complexity: 104

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CCl)(C#N)Cl

Technology Process of 2,3-Dichloro-2-methylpropanenitrile

There total 5 articles about 2,3-Dichloro-2-methylpropanenitrile 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:

methacrylonitrile (126-98-7,25067-61-2) → α,β-dichloro-isobutyronitrile (6092-39-3)

Guidance literature:

With tetrachloromethane; iodine; chlorine; Irradiation_.im UV;

Reference yield:

β-chloro-α-hydroxy-isobutyronitrile (33401-05-7) → α,β-dichloro-isobutyronitrile (6092-39-3)

Guidance literature:

With pyridine; thionyl chloride; anfangs unter Kuehlung, spaeter auf dem Wasserbad bei 80-85grad;

Reference yield:

α,α,β,γ-Tetrachlor-N-trichlorphosphoranyliden-isobutylamin (6378-49-0) → α,β-dichloro-isobutyronitrile (6092-39-3)

Guidance literature:

at 180 - 200 ℃;

upstream raw materials:

methacrylonitrile

α,α,β,γ-Tetrachlor-N-trichlorphosphoranyliden-isobutylamin

β-chloro-α-hydroxy-isobutyronitrile

pyridine

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