4-(2,4-Dichlorophenoxy)butanenitrile

Base Information

• Chemical Name: 4-(2,4-Dichlorophenoxy)butanenitrile
• CAS No.: 63867-25-4
• Molecular Formula: C10H9 Cl2 N O
• Molecular Weight: 230.094
• Hs Code.: 2926909090
• NSC Number: 79257
• DSSTox Substance ID: DTXSID60291952
• Nikkaji Number: J67.421D
• Wikidata: Q82030054
• Mol file: 63867-25-4.mol

Synonyms:4-(2,4-dichlorophenoxy)butanenitrile;63867-25-4;4-(2,4-Dichlorophenoxy)butyronitrile;4-(2,4-Dichloro-phenoxy)butanenitrile;NSC79257;NIOSH/ET9240000;DTXSID60291952;Butanenitrile,4-dichlorophenoxy)-;NSC-79257;AKOS000174608;Butyronitrile, 4-(2,4-dichlorophenoxy)-;Butyronitrile, gamma-(2,4-dichlorophenoxy)-;ET92400000

Chemical Property of 4-(2,4-Dichlorophenoxy)butanenitrile

Chemical Property:

• Vapor Pressure: 3.58E-05mmHg at 25°C
• Boiling Point: 353.5°Cat760mmHg
• Flash Point: 167.6°C
• PSA: 33.02000
• Density: 1.276g/cm³
• LogP: 3.67598
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 229.0061193
• Heavy Atom Count: 14
• Complexity: 213

Purity/Quality:

99% ^*data from raw suppliers

4-(2,4-DICHLORO-PHENOXY)BUTANENITRILE ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Cl)Cl)OCCCC#N

Technology Process of 4-(2,4-Dichlorophenoxy)butanenitrile

There total 5 articles about 4-(2,4-Dichlorophenoxy)butanenitrile 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: 99.0%

2,4-dichlorophenol (120-83-2,40477-79-0) + 4-bromobutanenitrile (5332-06-9) → 4-(2,4-dichlorophenoxy)butanenitrile (63867-25-4)

Guidance literature:

With potassium carbonate; In acetone; for 20h; Reflux;

DOI:10.1039/c5ob00812c

Reference yield:

1-bromo-3-(2,4-dichlorophenoxy)propane (6954-78-5) → 4-(2,4-dichlorophenoxy)butanenitrile (63867-25-4)

Guidance literature:

DOI:10.1021/ja01195a604

Reference yield:

sodium 2,4-dichlorophenolate (3757-76-4) → 4-(2,4-dichlorophenoxy)butanenitrile (63867-25-4)

Guidance literature:

Multi-step reaction with 2 steps

1: ethanol

2: ethanol

With ethanol;

upstream raw materials:

1-bromo-3-(2,4-dichlorophenoxy)propane

(3-chloro-propyl)-(2,4-dichloro-phenyl)-ether

sodium cyanide

4-Chlorobutyronitrile

Downstream raw materials:

4-(2,4-dichlorophenoxy)butyric acid

4-(2,4-dichloro-phenoxy)-butyric acid amide