1-Chloro-3-(1-chloroethyl)benzene

Base Information

• Chemical Name: 1-Chloro-3-(1-chloroethyl)benzene
• CAS No.: 34887-78-0
• Molecular Formula: C8H8Cl2
• Molecular Weight: 175.058
• European Community (EC) Number: 860-779-5
• Nikkaji Number: J647.471C
• Mol file: 34887-78-0.mol

Synonyms:1-chloro-3-(1-chloroethyl)benzene;34887-78-0;1-Chloro-3-(1-chloro-ethyl)-benzene;SCHEMBL8094299;AM100696;EN300-111290;F1901-0272

Chemical Property of 1-Chloro-3-(1-chloroethyl)benzene

Chemical Property:

• PSA: 0.00000
• LogP: 3.63980
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 174.0003056
• Heavy Atom Count: 10
• Complexity: 103

Purity/Quality:

99% ^*data from raw suppliers

1-Chloro-3-(1-chloroethyl)benzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1=CC(=CC=C1)Cl)Cl

Technology Process of 1-Chloro-3-(1-chloroethyl)benzene

There total 6 articles about 1-Chloro-3-(1-chloroethyl)benzene 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: 71.0%

3-chloroethylbenzene (620-16-6) → 1-chloro-3-(2-chloroethyl)benzene (5182-43-4) + 1-chloro-3-(1-chloroethyl)benzene (34887-78-0)

Guidance literature:

With N-chloro-succinimide; benzophenone; In acetonitrile; at 27 ℃; for 9h; regioselective reaction; Irradiation;

DOI:10.1016/j.tet.2017.05.008

Reference yield:

3-chloroethylbenzene (620-16-6) → 1-chloro-3-(1-chloroethyl)benzene (34887-78-0)

Guidance literature:

With phosphorus trichloride; at 10 - 15 ℃; Irradiation_.Einleiten von Chlor; UV-Licht;

DOI:10.1021/ja01183a088

Reference yield:

1-(m-Chlorophenyl)ethanol (120121-01-9,135145-34-5,6939-95-3) → 1-chloro-3-(1-chloroethyl)benzene (34887-78-0)

Guidance literature:

With thionyl chloride; In benzene;

DOI:10.1246/bcsj.48.3337

upstream raw materials:

3-chloroethylbenzene

1-(m-Chlorophenyl)ethanol

chlorobenzene

1-bromo-3-chlorobenzene

Downstream raw materials:

N-Allyl-N-[1-(3-chloro-phenyl)-ethyl]-benzenesulfonamide

1-(m-Chlorophenyl)ethanol

2-(3-chlorophenyl) propanoic acid