4-(2-Bromoethyl)benzonitrile

Base Information

• Chemical Name: 4-(2-Bromoethyl)benzonitrile
• CAS No.: 72054-56-9
• Molecular Formula: C9H8BrN
• Molecular Weight: 210.073
• Hs Code.: 2926909090
• European Community (EC) Number: 866-952-1
• DSSTox Substance ID: DTXSID80512333
• Wikidata: Q72455404
• Mol file: 72054-56-9.mol

Synonyms:4-(2-BROMOETHYL)BENZONITRILE;72054-56-9;MFCD12025077;Benzonitrile, 4-(2-bromoethyl)-;Cobaltgluconate;4-Cyanophenethyl bromide;SCHEMBL508063;DTXSID80512333;NNNRGWOWXNCGCV-UHFFFAOYSA-N;AKOS014197341;AM83182;CS-W018706;AC-28574;DS-12869;SY031931;EN300-298023;J-513281

Chemical Property of 4-(2-Bromoethyl)benzonitrile

Chemical Property:

• Vapor Pressure: 0.002mmHg at 25°C
• Melting Point: 53-54℃
• Boiling Point: 290.363oC at 760 mmHg
• Flash Point: 129.407oC
• PSA: 23.79000
• Density: 1.437g/cm3
• LogP: 2.49568
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 208.98401
• Heavy Atom Count: 11
• Complexity: 150

Purity/Quality:

97% ^*data from raw suppliers

4-(2-Bromoethyl)benzonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CCBr)C#N

Technology Process of 4-(2-Bromoethyl)benzonitrile

There total 13 articles about 4-(2-Bromoethyl)benzonitrile 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: 91.0%

4-(2-hydroxyethyl)benzonitrile (69395-13-7) → 4-(2-bromoethyl)benzonitrile (72054-56-9)

Guidance literature:

With carbon tetrabromide; triphenylphosphine; In dichloromethane; at 20 ℃; for 5h;

Reference yield: 74.0%

4-(2-Bromoethyl)benzaldehyde (7617-70-1) → 4-(2-bromoethyl)benzonitrile (72054-56-9)

Guidance literature:

With formic acid; hydroxylamine hydrochloride; for 2h; Reflux;

Reference yield:

4-(2-hydroxyethyl)benzonitrile (69395-13-7) → 4-carbamoylphenethyl bromide + 4-(2-bromoethyl)benzonitrile (72054-56-9)

Guidance literature:

With phosphorus tribromide; In tetrachloromethane;

upstream raw materials:

4-(2-hydroxyethyl)benzonitrile

4-(2-bromoethyl)aniline

2-(4-nitrophenyl)ethanol

2-(4'-aminophenyl)ethyl alcohol

Downstream raw materials:

2-(4-cyanophenyl)-1-N,N-dimethylaminoethane

4-(2-methylsulfanyl-ethyl)-benzonitrile

4-[3-(Naphthalene-2-sulfonylamino)-4-oxo-4-pyrrolidin-1-yl-butyl]-thiobenzimidic acid methyl ester; hydriodide

4-[3-(Naphthalene-1-sulfonylamino)-4-oxo-4-pyrrolidin-1-yl-butyl]-thiobenzimidic acid methyl ester; hydriodide