1-Chloro-3-ethylbenzene

Base Information

• Chemical Name: 1-Chloro-3-ethylbenzene
• CAS No.: 620-16-6
• Molecular Formula: C8H9 Cl
• Molecular Weight: 140.612
• Hs Code.: 2903999090
• NSC Number: 60919
• DSSTox Substance ID: DTXSID40211032
• Nikkaji Number: J44.128G
• Wikidata: Q72449994
• Mol file: 620-16-6.mol

Synonyms:1-Chloro-3-ethylbenzene;620-16-6;m-Chloroethylbenzene;Benzene, 1-chloro-3-ethyl-;3-CHLORO-ETHYLBENZENE;3-Ethylchlorobenzene;NSC60919;SCHEMBL91280;DTXSID40211032;AMY28190;MFCD02181081;NSC 60919;NSC-60919;AKOS006279097;AS-30445;CS-0168176;FT-0703003;EN300-104955;A928542

Chemical Property of 1-Chloro-3-ethylbenzene

Chemical Property:

• Melting Point: -55 ºC
• Refractive Index: 1.5195
• Boiling Point: 184 ºC
• PSA: 0.00000
• Density: 1.053
• LogP: 2.90240
• Storage Temp.: 2-8°C
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 140.0392780
• Heavy Atom Count: 9
• Complexity: 80.6

Purity/Quality:

99%, ^*data from raw suppliers

1-Chloro-3-ethylbenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CC(=CC=C1)Cl

Technology Process of 1-Chloro-3-ethylbenzene

There total 18 articles about 1-Chloro-3-ethylbenzene 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%

3-Chlorostyrene (2039-85-2,26100-04-9) → 3-chloroethylbenzene (620-16-6)

Guidance literature:

With hydrogen; In ethanol; at 100 ℃; under 30003 Torr; chemoselective reaction; Flow reactor; Green chemistry;

DOI:10.1039/c3gc40789f

Reference yield:

m-chlorophenylacetylene (766-83-6) → 3-Chlorostyrene (2039-85-2,26100-04-9) + 3-chloroethylbenzene (620-16-6)

Guidance literature:

m-chlorophenylacetylene; With pyridine; In toluene; for 0.166667h; Glovebox;

With hydrogen; In toluene; at 120 ℃; for 12h; under 37503.8 Torr; Glovebox;

DOI:10.1021/acs.orglett.1c01073

Reference yield:

ethylbenzene (100-41-4,27536-89-6) → 4-chloro(ethylbenzene) (622-98-0) + 1-chloro-2-ethylbenzene (89-96-3) + 3-chloroethylbenzene (620-16-6)

Guidance literature:

With sulfuryl dichloride; zeolite ZF₅₂₀; for 2h; Yield given. Yields of byproduct given; Heating;

DOI:10.1021/jo00305a023

upstream raw materials:

ethene

chlorobenzene

4-chloro(ethylbenzene)

carbon monoxide

Downstream raw materials:

1-Ethyl-3-trimethylsilylbenzol

1-chloro-3-(1-chloroethyl)benzene

3'-Chloroacetophenone

3-chlorobenzoate

Refernces

• 1、 Klarner, Mara,Bieger, Sandra,Drechsler, Markus,Kempe, Rhett. "Chemoselective Hydrogenation of Olefins Using a Nanostructured Nickel Catalyst". supporting information. p. 2157 - 2161. Retrieved 2021/05/21.
• 2、 Geng, Jiao,Hu, Xingbang,Liu, Qiang,Wu, Youting,Yang, Liu,Yao, Chenfei. "Controlling the Lewis Acidity and Polymerizing Effectively Prevent Frustrated Lewis Pairs from Deactivation in the Hydrogenation of Terminal Alkynes". . p. 3685 - 3690. Retrieved 2021/05/31.