4-Ethylbenzene-1-sulfonyl chloride

Base Information

• Chemical Name: 4-Ethylbenzene-1-sulfonyl chloride
• CAS No.: 16712-69-9
• Molecular Formula: C8H9ClO2S
• Molecular Weight: 204.677
• Hs Code.: 2904990090
• Mol file: 16712-69-9.mol

Synonyms:4-Ethylbenzenesulfonyl chloride;Benzenesulfonyl chloride, 4-ethyl-;

Chemical Property of 4-Ethylbenzene-1-sulfonyl chloride

Chemical Property:

• Vapor Pressure: 0.00721mmHg at 25°C
• Melting Point: 8-12°C
• Refractive Index: 1.544
• Boiling Point: 278.4 °C at 760 mmHg
• Flash Point: 122.2 °C
• PSA: 42.52000
• Density: 1.287 g/cm³
• LogP: 3.25730
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Sensitive.: Moisture Sensitive
• Water Solubility.: Reacts with water. Soluble in ethanol, acetone and toluene.

Purity/Quality:

99.9% ^*data from raw suppliers

4-Ethylbenzenesulfonyl Chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): CXi,Xn
• Hazard Codes: C,Xi,Xn
• Statements: 29-34-36/37/38-22
• Safety Statements: 26-36/37/39-45-36

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 4-Ethylbenzenesulfonyl chloride is an important raw material and intermediate used in organic synthesis, pharmaceuticals agrochemicals and dyestuff fields.

Technology Process of 4-Ethylbenzene-1-sulfonyl chloride

There total 6 articles about 4-Ethylbenzene-1-sulfonyl chloride 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: 64.0%

p-ethylbenzenesulfonic acid (98-69-1) → p-ethylbenzenesulfonyl chloride (16712-69-9)

Guidance literature:

With phosphorus pentachloride; In dichloromethane; at 0 ℃;

DOI:10.1016/S0223-5234(01)01274-0

Reference yield: 53.0%

4-ethylbenzenethiol (4946-13-8) + chloroamine-T (127-65-1) → p-ethylbenzenesulfonyl chloride (16712-69-9) + N-chloro-N-(4-methylbenzenesulfonyl)-4-ethylbenzenesulfinamide

Guidance literature:

With N-chloro-succinimide; In water; acetonitrile; at 35 ℃; for 0.25h;

DOI:10.1021/acs.joc.6b00261

Reference yield:

ethylbenzene (100-41-4,27536-89-6) → p-ethylbenzenesulfonic acid (98-69-1) + p-ethylbenzenesulfonyl chloride (16712-69-9) + 2-ethyl-benzenesulfonic acid (91-24-7) + 3-ethylbenzene-1-sulfonyl chloride (34586-44-2) + 2-ethylbenzenesulfonyl chloride (34586-43-1) + 3-ethyl-benzenesulfonic acid (138-29-4)

Guidance literature:

With chlorosulfonic acid; at 25 ℃; for 1.5h; Product distribution;

upstream raw materials:

ethylbenzene

p-ethylbenzenesulfonic acid

4-ethylbenzenethiol

chloroamine-T

Downstream raw materials:

4-ethylbenzenesulfonic acid methyl ester

3-(4-Ethyl-benzolsulfonylamino)-propionsaeure-nitril

4-Ethyl-N-(1-phenyl-ethyl)-benzenesulfonamide

3-(4-Ethyl-benzolsulfonylamino)-propionamidin

Refernces

• 1、 -. "Preparation process of ethylbenzenesulfonamide". Paragraph 0021-0026. . Retrieved 2019/03/28.
• 2、 Yang, Zhanhui,Xu, Wei,Wu, Qiuyue,Xu, Jiaxi. "Aminoxidation of Arenethiols to N-Chloro-N-sulfonyl Sulfinamides". . p. 3051 - 3057. Retrieved 2016/04/26.