3-(2-Chlorophenyl)cyclopropane-1,1,2,2-tetracarbonitrile

Base Information

• Chemical Name: 3-(2-Chlorophenyl)cyclopropane-1,1,2,2-tetracarbonitrile
• CAS No.: 23773-23-1
• Molecular Formula: C13H5 Cl N4
• Molecular Weight: 252.663
• NSC Number: 98474
• DSSTox Substance ID: DTXSID30294874
• Nikkaji Number: J1.322.091C
• Wikidata: Q82034469
• Mol file: 23773-23-1.mol

Synonyms:3-(2-chlorophenyl)cyclopropane-1,1,2,2-tetracarbonitrile;23773-23-1;NSC98474;Maybridge3_001030;SCHEMBL13802689;DTXSID30294874;HMS1433O18;AMB101970;NSC-98474;AKOS024330538;IDI1_012417;3-(2-Chlorophenyl)cyclopropane-1,1,2,2-tetra-carbonitrile;3-(2-CHLORO-PHENYL)-CYCLOPROPANE-1,1,2,2-TETRACARBONITRILE

Chemical Property of 3-(2-Chlorophenyl)cyclopropane-1,1,2,2-tetracarbonitrile

Chemical Property:

• Vapor Pressure: 3.85E-13mmHg at 25°C
• Boiling Point: 573.1°Cat760mmHg
• Flash Point: 279°C
• Density: 1.45g/cm³
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 252.0202739
• Heavy Atom Count: 18
• Complexity: 497

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C2C(C2(C#N)C#N)(C#N)C#N)Cl

Technology Process of 3-(2-Chlorophenyl)cyclopropane-1,1,2,2-tetracarbonitrile

There total 3 articles about 3-(2-Chlorophenyl)cyclopropane-1,1,2,2-tetracarbonitrile 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: 95.0%

2-chloro-benzaldehyde (89-98-5) + malononitrile (109-77-3) → 3-(2-chlorophenyl)cyclopropane-1,1,2,2-tetracarbonitrile (23773-23-1)

Guidance literature:

With sodium bromide; In ethanol; at 0 ℃; Electrochemical reaction;

DOI:10.1016/S0040-4020(00)00195-2

Reference yield: 79.0%

o-chlorobenzylidene malononitrile (2698-41-1) + malononitrile (109-77-3) → 3-(2-chlorophenyl)cyclopropane-1,1,2,2-tetracarbonitrile (23773-23-1)

Guidance literature:

With bromine; sodium ethanolate; In ethanol; at 20 ℃; for 3h;

DOI:10.1016/j.tet.2007.11.027

Reference yield:

→ 3-(2-chlorophenyl)cyclopropane-1,1,2,2-tetracarbonitrile (23773-23-1)

Guidance literature:

<2-Chlor-benzyliden>-malodinitril, Brom-malodinitril, A.;

DOI:10.1016/S0040-4020(01)82918-5

upstream raw materials:

2-chloro-benzaldehyde

malononitrile

o-chlorobenzylidene malononitrile

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