2-(1-Amino-2-chloroethylidene)malononitrile

Base Information

• Chemical Name: 2-(1-Amino-2-chloroethylidene)malononitrile
• CAS No.: 118645-77-5
• Molecular Formula: C5H4ClN3
• Molecular Weight: 141.56
• Hs Code.: 2926909090
• DSSTox Substance ID: DTXSID10370665
• Nikkaji Number: J2.390.624D
• Mol file: 118645-77-5.mol

Synonyms:2-(1-Amino-2-chloroethylidene)malononitrile;118645-77-5;2-(1-amino-2-chloroethylidene)propanedinitrile;(1-Amino-2-chloroethylidene)malononitrile;DTXSID10370665;MFCD00139193;AKOS005070549;CS-0452909;5C-001;J-505307

Chemical Property of 2-(1-Amino-2-chloroethylidene)malononitrile

Chemical Property:

• Melting Point: 157
• Boiling Point: 157°C
• PSA: 73.60000
• LogP: 1.18546
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 141.0093748
• Heavy Atom Count: 9
• Complexity: 205

Purity/Quality:

99%, ^*data from raw suppliers

2-(1-Amino-2-chloroethylidene)malononitrile ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C(=C(C#N)C#N)N)Cl

Technology Process of 2-(1-Amino-2-chloroethylidene)malononitrile

There total 1 articles about 2-(1-Amino-2-chloroethylidene)malononitrile 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:

chloroacetonitrile (107-14-2) + malononitrile (109-77-3) → 2-(1-Amino-chlorethyliden)malondinitril (118645-77-5)

Guidance literature:

With sodium methylate; Product distribution; Mechanism; multistep raction; other substrates;

Reference yield: 87.0%

dimethyl amine (124-40-3) + 2-(1-Amino-chlorethyliden)malondinitril (118645-77-5) → 2-(1-amino-2-dimethylaminoethylidene)malononitrile (118645-86-6)

Guidance literature:

In ethanol; for 1h; Heating;

Reference yield: 14.0%

N,N-dimethyl-aniline (121-69-7,77733-26-7) + 2-(1-Amino-chlorethyliden)malondinitril (118645-77-5) → 1-(2-amino-3,3-dicyanoprop-2-enyl)dimethylphenylammonium chloride

Guidance literature:

Heating;

upstream raw materials:

chloroacetonitrile

malononitrile

Downstream raw materials:

2-(1-amino-2-dimethylaminoethylidene)malononitrile