1-Chloro-4-ethylbenzene

Base Information

• Chemical Name: 1-Chloro-4-ethylbenzene
• CAS No.: 622-98-0
• Molecular Formula: C8H9 Cl
• Molecular Weight: 140.612
• Hs Code.: 2903999090
• European Community (EC) Number: 210-763-3
• UNII: RG9SR6EV5J
• DSSTox Substance ID: DTXSID30211248
• Nikkaji Number: J31.765I
• Wikidata: Q83086104
• Mol file: 622-98-0.mol

Synonyms:1-Chloro-4-ethylbenzene;622-98-0;Benzene, 1-chloro-4-ethyl-;p-Chloroethylbenzene;4-Chloro(ethylbenzene);1-Ethyl-4-chlorobenzene;4-Chloro-1-ethylbenzene;EINECS 210-763-3;p-Ethylchlorobenzene;4-Chloroethylbenzene;4-Ethylchlorobenzene;4-chloro-ethylbenzene;(p-chlorophenyl)ethane;RG9SR6EV5J;1-chloro-4-ethyl benzene;1-chloro-4-ethyl-benzene;SCHEMBL128405;1-Chloro-4-ethylbenzene, 97%;DTXSID30211248;MFCD00040855;AKOS015850328;BS-17347;C3091;CS-0152511;FT-0607628;D83472;EN300-329568

Chemical Property of 1-Chloro-4-ethylbenzene

Chemical Property:

• Vapor Pressure: 1.01mmHg at 25°C
• Melting Point: -62.6°C
• Refractive Index: 1.5175
• Boiling Point: 184-185°C
• Flash Point: 184-185°C
• PSA: 0.00000
• Density: 1,03 g/cm3
• LogP: 2.90240
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Difficult to mix.
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 140.0392780
• Heavy Atom Count: 9
• Complexity: 72.6

Purity/Quality:

98%min ^*data from raw suppliers

1-Chloro-4-ethylbenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): 1099335
• Hazard Codes: Xn,N
• Statements: 22-51/53
• Safety Statements: 23-24/25-61

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCC1=CC=C(C=C1)Cl
• Uses: 1-Chloro-4-ethylbenzene is used in paint &coating industry, rubber industry, water-treatment.

Technology Process of 1-Chloro-4-ethylbenzene

There total 63 articles about 1-Chloro-4-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: 100.0%

2-[(4-chlorophenyl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (517920-59-1) + methyl iodide (74-88-4) → 4-chloro(ethylbenzene) (622-98-0)

Guidance literature:

2-[(4-chlorophenyl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; With bis(tri-t-butylphosphine)palladium⁽⁰⁾; cesium fluoride; In water; N,N-dimethyl-formamide; for 0.0166667h; Inert atmosphere; Schlenk technique;

methyl iodide; In water; N,N-dimethyl-formamide; at 120 ℃; for 0.0833333h; Inert atmosphere; Schlenk technique;

DOI:10.1039/c3ra40815a

Reference yield: 96.0%

4-n-chlorophenylacetylene (873-73-4) → 4-chloro(ethylbenzene) (622-98-0)

Guidance literature:

With hydrogen; In methanol; at 20 ℃; for 18h;

DOI:10.1016/j.tetlet.2009.01.014

Reference yield: 96.0%

para-chloroacetophenone (99-91-2) → 4-chloro(ethylbenzene) (622-98-0)

Guidance literature:

With sodium cyanoborohydride; at 20 ℃; for 0.05h;

DOI:10.1002/jccs.201800250

upstream raw materials:

ethylbenzene

(methyl)(4-chlorocyclohex-3-en-1-yl)ketone

para-chloroacetophenone

ethyl bromide

Downstream raw materials:

1-(1-bromoethyl)-4-chlorobenzene

para-chloroacetophenone

4-chloro-1-ethyl-2-iodobenzene

2-(1-(4-chlorophenyl)ethyl)-1,3-diphenylpropane-1,3-dione

Refernces

• 1、 Antil, Neha,Kumar, Ajay,Akhtar, Naved,Newar, Rajashree,Begum, Wahida,Manna, Kuntal. "Metal-Organic Framework-Confined Single-Site Base-Metal Catalyst for Chemoselective Hydrodeoxygenation of Carbonyls and Alcohols". supporting information. p. 9029 - 9039. Retrieved 2021/06/28.
• 2、 Han, Bo,Jiao, Hongmei,Ma, Haojie,Wang, Jijiang,Zhang, Miaomiao,Zhang, Yuqi. "Ligand-enabled and magnesium-activated hydrogenation with earth-abundant cobalt catalysts". . p. 39934 - 39939. Retrieved 2021/12/31.