2-(2-Chloroethoxy)benzenesulfonamide

Base Information

• Chemical Name: 2-(2-Chloroethoxy)benzenesulfonamide
• CAS No.: 82097-01-6
• Molecular Formula: C8H10 Cl N O3 S
• Molecular Weight: 235.691
• Hs Code.: 2935009090
• UNII: C794426AN5
• DSSTox Substance ID: DTXSID60547805
• Nikkaji Number: J900.594C
• Wikidata: Q72449810
• Mol file: 82097-01-6.mol

Synonyms:2-(2-Chloroethoxy)benzenesulfonamide;82097-01-6;2-(2-CHLOROETHOXY)-BENZENESULFONAMIDE;2-(2-Chloroethoxy)benzene sulfonamide;Benzenesulfonamide, 2-(2-chloroethoxy)-;SCHEMBL8415243;DTXSID60547805;WAJIUYJWAGLDAC-UHFFFAOYSA-N;2-(2-cloroethoxy)-phenylsulfonamide;CGA161149;MFCD03265372;2-(2-Chloroethoxy)-phenylsulfonamide;2-(2-chloro-ethoxy)benzenesulfonamide;2-(2-chloroethyloxy)benzenesulfonamide;AKOS008901305;(2-[2-Chloroethoxy]benzensulfonamide);AB13878;C794426AN5;AS-12405;CS-0456002;NS00067823;D95748;2-(2-CHLOROETHOXY)BENZENE-1-SULFONAMIDE;A840244

Chemical Property of 2-(2-Chloroethoxy)benzenesulfonamide

Chemical Property:

• Vapor Pressure: 2.68E-07mmHg at 25°C
• Melting Point: 119 °C
• Boiling Point: 421.1°C at 760 mmHg
• PKA: 9.97±0.60(Predicted)
• Flash Point: 208.5°C
• PSA: 77.77000
• Density: 1.384g/cm³
• LogP: 2.73270
• Storage Temp.: 2-8°C
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 235.0069920
• Heavy Atom Count: 14
• Complexity: 262

Purity/Quality:

598% ^*data from raw suppliers

2-(2-Chloroethoxy)benzenesulfonamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)OCCCl)S(=O)(=O)N

Technology Process of 2-(2-Chloroethoxy)benzenesulfonamide

There total 5 articles about 2-(2-Chloroethoxy)benzenesulfonamide 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: 61.0%

2-(2-hydroxyethoxy)benzenesulfonamide → 2-(2'-chloroethoxy)-benzenesulfonamide (82097-01-6)

Guidance literature:

With thionyl chloride; In dichloromethane; N,N-dimethyl acetamide; for 1h;

DOI:10.1021/acs.jafc.1c02081

Reference yield: 53.0%

triasulfuron (82097-50-5) → 2-(2'-chloroethoxy)-benzenesulfonamide (82097-01-6)

Guidance literature:

With hydrogenchloride; In acetonitrile; Ambient temperature;

DOI:10.1021/jf970299d

Reference yield:

triasulfuron (82097-50-5) → 4-methoxy-6-methyl-1,3,5-triazin-2-amine (1668-54-8) + 4-amino-6-methyl-1,3,5-triazine-2-ol (16352-06-0) + 2-(2'-chloroethoxy)-benzenesulfonamide (82097-01-6) + 2-(2-chloroethoxy)-N-{[(4-hydroxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl}benzenosulfonamide + 1-[2-(2-chloroethoxy)benzene-1-sulfonyl]-7-acetyltriuret

Guidance literature:

With water; at 25 ℃; Rate constant; Product distribution; var. pH;

DOI:10.1021/jf970299d

upstream raw materials:

triasulfuron

2-hydroxybenzenesulfonamide

Downstream raw materials:

2-(2-chloroethoxy)benzenesulfonyl isocyanate

Refernces

• 1、 Braschi, Ilaria,Calamai, Luca,Cremonini, Mauro Andrea,Fusi, Paolo,Gessa, Carlo,Pantani, Ottorino,Pusino, Alba. "Kinetics and Hydrolysis Mechanism of Triasulfuron". . p. 4495 - 4499. Retrieved 2007/10/03.
• 2、 -. "Process for the preparation of 2-(2-chloroethoxy)-benzenesulfonamide". . . Retrieved 2008/06/13.