1-(3,4-Dichlorophenyl)cyclopropanecarbonitrile

Base Information

• Chemical Name: 1-(3,4-Dichlorophenyl)cyclopropanecarbonitrile
• CAS No.: 124276-57-9
• Molecular Formula: C10H7Cl2N
• Molecular Weight: 212.078
• DSSTox Substance ID: DTXSID601246417
• Nikkaji Number: J2.228.655B
• Mol file: 124276-57-9.mol

Synonyms:1-(3,4-DICHLOROPHENYL)CYCLOPROPANECARBONITRILE;124276-57-9;1-(3,4-dichlorophenyl)cyclopropane-1-carbonitrile;Cyclopropanecarbonitrile, 1-(3,4-dichlorophenyl)-;MFCD09743443;SCHEMBL4826627;SJDZLTHRJVBKJM-UHFFFAOYSA-N;DTXSID601246417;ZEA27657;AKOS009343569;AB90488;AS-68107;SY225599;CS-0044906;FT-0717859;F10591;1-(3,4-dichloro-phenyl)-cyclopropanecarbonitrile;A890534;cyclopropanecarbonitrile, 1-(3,4-dichlorophenyl)-;LogP

Chemical Property of 1-(3,4-Dichlorophenyl)cyclopropanecarbonitrile

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 344.115°C at 760 mmHg
• Flash Point: 153.979°C
• PSA: 23.79000
• Density: 1.381g/cm³
• LogP: 3.54858
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 210.9955546
• Heavy Atom Count: 13
• Complexity: 251

Purity/Quality:

97% ^*data from raw suppliers

1-(3,4-Dichlorophenyl)cyclopropanecarbonitrile 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC1(C#N)C2=CC(=C(C=C2)Cl)Cl

Technology Process of 1-(3,4-Dichlorophenyl)cyclopropanecarbonitrile

There total 6 articles about 1-(3,4-Dichlorophenyl)cyclopropanecarbonitrile 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: 77.0%

ethylene dibromide (106-93-4) + 3,4-dichloro-benzeneacetonitrile (3218-49-3) → 1-(3,4-dichlorophenyl)cyclopropanecarbonitrile (124276-57-9)

Guidance literature:

With sodium hydroxide; N-benzyl-N,N,N-triethylammonium chloride; In water; at 55 - 75 ℃; for 2h;

DOI:10.1023/A:1013728105186

Reference yield: 53.0%

[1,3]-dioxolan-2-one (96-49-1) + 3,4-dichloro-benzeneacetonitrile (3218-49-3) → 1-(3,4-dichlorophenyl)cyclopropanecarbonitrile (124276-57-9)

Guidance literature:

With potassium carbonate; at 145 - 150 ℃; for 1h;

DOI:10.1016/j.tetlet.2005.08.050

Reference yield:

4-Chloro-2-cyano-2-(3,4-dichloro-phenyl)-butyric acid ethyl ester → 1-(3,4-dichlorophenyl)cyclopropanecarbonitrile (124276-57-9)

Guidance literature:

With sodium hydroxide; In methanol; for 12h; Ambient temperature;

DOI:10.1016/0223-5234(91)90021-E

upstream raw materials:

ethylene dibromide

3,4-dichloro-benzeneacetonitrile

[1,3]-dioxolan-2-one

ethyl cyano(3,4-dichlorophenyl)acetate

Downstream raw materials:

1-(3,4-dichlorophenyl)cyclopropanecarboxylic acid

[1-(3,4-dichlorophenyl)cyclopropyl](pyridin-2-yl)methanone

(S)-[1-(3,4-dichlorophenyl)cyclopropyl](pyridin-2-yl)methanol

(+/-)-N-methyl-N--1-(3',4'-dichlorophenyl)-cyclopropanecarboxylic amide