1-Chloro-2-(2-chloroethyl)benzene

Base Information

• Chemical Name: 1-Chloro-2-(2-chloroethyl)benzene
• CAS No.: 1005-06-7
• Molecular Formula: C8H8Cl2
• Molecular Weight: 175.058
• Hs Code.: 2903999090
• DSSTox Substance ID: DTXSID70503518
• Nikkaji Number: J46.881I
• Wikidata: Q63409875
• Mol file: 1005-06-7.mol

Synonyms:1-chloro-2-(2-chloroethyl)benzene;1005-06-7;Benzene, 1-chloro-2-(2-chloroethyl)-;1-(2-Chloroethyl)-2-chlorobenzene;SCHEMBL575128;DTXSID70503518;BAA00506;CS-0252409;EN300-60096;1-CHLORO-2-(ORTHO-CHLOROPHENYL)-ETHANE;Q63409875

Chemical Property of 1-Chloro-2-(2-chloroethyl)benzene

Chemical Property:

• PSA: 0.00000
• LogP: 3.12130
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 174.0003056
• Heavy Atom Count: 10
• Complexity: 93.3

Purity/Quality:

98%,99%, ^*data from raw suppliers

1-Chloro-2-(2-chloroethyl)benzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-Chloro-2-(2-chloroethyl)benzene

There total 5 articles about 1-Chloro-2-(2-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: 91.0%

2-(2-chlorophenyl)-1-ethanol (19819-95-5) → 2-chlorophenylethyl chloride (1005-06-7)

Guidance literature:

2-(2-chlorophenyl)-1-ethanol; With methanesulfonyl chloride; triethylamine; In toluene; at 0 ℃; for 1h;

With lithium chloride; In N,N-dimethyl-formamide; at 20 ℃; for 24h;

DOI:10.1016/S0022-328X(02)01473-0

Reference yield: 89.0%

2-(2-chlorophenyl)-1-ethanol (19819-95-5) + lithium chloride → 2-chlorophenylethyl chloride (1005-06-7)

Guidance literature:

With thionyl chloride; In tetrahydrofuran; for 2h; Heating / reflux;

Reference yield: 64.0%

1-chloro-2-ethylbenzene (89-96-3) → 1-chloro-2-(1-chloroethyl)benzene (20001-64-3) + 2-chlorophenylethyl chloride (1005-06-7)

Guidance literature:

With N-chloro-succinimide; benzophenone; In acetonitrile; at 27 ℃; for 24h; regioselective reaction; Irradiation;

DOI:10.1016/j.tet.2017.05.008

upstream raw materials:

benzocyclobutene

2-(2-chlorophenyl)-1-ethanol

2-chlorophenylacetic acid ethyl ester

1-chloro-2-ethylbenzene

Downstream raw materials:

3-(2-chloro-phenyl)-propionitrile

5-(3-chloro-4-methoxybenzyl)-4-phenyl-3-(2-chlorophenethyl)sulfanyl-4H-1,2,4-triazole

1-chloro-2-<2-(phenylsulfonyl)ethyl>benzene

1-(phenylsulfonyl)benzocyclobutene