1-(2-Chlorophenyl)cyclopropanecarbonitrile

Base Information

• Chemical Name: 1-(2-Chlorophenyl)cyclopropanecarbonitrile
• CAS No.: 122143-18-4
• Molecular Formula: C10H8ClN
• Molecular Weight: 177.63000
• Hs Code.: 2926909090
• DSSTox Substance ID: DTXSID90437987
• Wikidata: Q82253593
• Mol file: 122143-18-4.mol

Synonyms:1-(2-Chlorophenyl)cyclopropanecarbonitrile;122143-18-4;Cyclopropanecarbonitrile, 1-(2-chlorophenyl)-;1-(2-chlorophenyl)cyclopropane-1-carbonitrile;1-(2-CHLORO-PHENYL)-CYCLOPROPANECARBONITRILE;MFCD07374409;SCHEMBL4555845;DTXSID90437987;QZTBYZDCUXBPLS-UHFFFAOYSA-N;AKOS011055379;AB39389;CS-16099;SY037190;1-(2-Chlorophenyl)-cyclopropane-carbonitrile;CS-0088379;FT-0693186;1-(2-Chlorophenyl)-cyclopropane-carbon itrile;EN300-1983890

Chemical Property of 1-(2-Chlorophenyl)cyclopropanecarbonitrile

Chemical Property:

• Vapor Pressure: 0.000536mmHg at 25°C
• Boiling Point: 312.2oC at 760 mmHg
• Flash Point: 139.5oC
• PSA: 23.79000
• Density: 1.24g/cm3
• LogP: 2.89518
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 177.0345270
• Heavy Atom Count: 12
• Complexity: 223

Purity/Quality:

97% ^*data from raw suppliers

1-(2-Chlorophenyl)cyclopropanecarbonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC1(C#N)C2=CC=CC=C2Cl
• Uses: 1-(2-Chlorophenyl)cyclopropanecarbonitrile

Technology Process of 1-(2-Chlorophenyl)cyclopropanecarbonitrile

There total 4 articles about 1-(2-Chlorophenyl)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: 100.0%

2-Chlorophenylacetonitrile (2856-63-5) + 1-Bromo-2-chloroethane (107-04-0) → 1-(2-Chlorophenyl)-cyclopropane-carbonitrile (122143-18-4)

Guidance literature:

With N-benzyl-N,N,N-triethylammonium chloride; sodium hydroxide; In water; at 50 ℃;

DOI:10.1021/jm9013696

Reference yield: 100.0%

→ 1-(2-Chlorophenyl)-cyclopropane-carbonitrile (122143-18-4)

Guidance literature:

Reference yield:

ethyl bromide (74-96-4) + 2-Chlorophenylacetonitrile (2856-63-5) + triethylbutylammonium chloride (24344-65-8) → 1-(2-Chlorophenyl)-cyclopropane-carbonitrile (122143-18-4)

Guidance literature:

In sodium hydroxide; (2S)-N-methyl-1-phenylpropan-2-amine hydrate;

upstream raw materials:

1,2-Dibromopropane

2-Chlorophenylacetonitrile

ethyl bromide

triethylbutylammonium chloride

Downstream raw materials:

1-(2-chlorophenyl)cyclopropane-1-carboxylic acid