1-Chloro-4-(1-chloroethyl)benzene

Base Information

• Chemical Name: 1-Chloro-4-(1-chloroethyl)benzene
• CAS No.: 20001-65-4
• Molecular Formula: C8H8Cl2
• Molecular Weight: 175.058
• DSSTox Substance ID: DTXSID90450398
• Nikkaji Number: J31.708J
• Mol file: 20001-65-4.mol

Synonyms:1-chloro-4-(1-chloroethyl)benzene;20001-65-4;SCHEMBL678428;1-(4-chlorophenyl)ethylchloride;DTXSID90450398;NOCHRVHWICTPLG-UHFFFAOYSA-N;alpha-methyl-4-chlorobenzyl chloride;STL301884;AKOS009235223;BS-52469;E84585;EN300-100783

Chemical Property of 1-Chloro-4-(1-chloroethyl)benzene

Chemical Property:

• PSA: 0.00000
• LogP: 3.63980
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 174.0003056
• Heavy Atom Count: 10
• Complexity: 95.4

Purity/Quality:

97% ^*data from raw suppliers

1-chloro-4-(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=C(C=C1)Cl)Cl

Technology Process of 1-Chloro-4-(1-chloroethyl)benzene

There total 12 articles about 1-Chloro-4-(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: 94.0%

4-vinylbenzyl chloride (1073-67-2,24991-47-7) → 1-chloro-4-(1-chloroethyl)benzene (20001-65-4)

Guidance literature:

With hydrogenchloride; 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone; acetic acid; at 20 ℃; regioselective reaction;

DOI:10.1039/c7gc03665e

Reference yield: 90.0%

para-chloroacetophenone (99-91-2) → 1-chloro-4-(1-chloroethyl)benzene (20001-65-4)

Guidance literature:

With dichloromethylsilane; iron(III) chloride; In 1,2-dimethoxyethane; for 3h; Heating;

DOI:10.1080/00304940709458597

Reference yield: 89.0%

1-(p-chlorophenyl)ethyl alcohol (3391-10-4) → 1-chloro-4-(1-chloroethyl)benzene (20001-65-4)

Guidance literature:

With chloro-trimethyl-silane; bismuth(III) chloride; In dichloromethane; at 20 ℃; for 23h; Inert atmosphere;

DOI:10.1021/ol500046e

upstream raw materials:

1-(p-chlorophenyl)ethyl alcohol

1,4-dioxane

phosgene

pentane

Downstream raw materials:

N-allyl-N-(α-methyl-4-chlorobenzyl)benzenesulfonamide

1-(p-chlorophenyl)ethyl alcohol

para-chloroacetophenone

2-(1-[4-chlorophenyl]ethylthio)-pyridine N-oxide