2-Chloroethyl 4-nitrobenzenesulfonate

Base Information

• Chemical Name: 2-Chloroethyl 4-nitrobenzenesulfonate
• CAS No.: 33318-72-8
• Molecular Formula: C₈H₈ClNO₅S
• Molecular Weight: 265.674
• DSSTox Substance ID: DTXSID00186939
• Wikidata: Q83058387
• ChEMBL ID: CHEMBL166742
• Mol file: 33318-72-8.mol

Synonyms:2-Chloroethyl 4-nitrobenzenesulfonate;33318-72-8;Benzenesulfonic acid, 4-nitro-, 2-chloroethyl ester;CHEMBL166742;DTXSID00186939

Chemical Property of 2-Chloroethyl 4-nitrobenzenesulfonate

Chemical Property:

• Vapor Pressure: 5.38E-08mmHg at 25°C
• Boiling Point: 453.9°Cat760mmHg
• Flash Point: 228.3°C
• Density: 1.498g/cm³
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 264.9811712
• Heavy Atom Count: 16
• Complexity: 325

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)OCCCl

Technology Process of 2-Chloroethyl 4-nitrobenzenesulfonate

There total 2 articles about 2-Chloroethyl 4-nitrobenzenesulfonate 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:

4-Nitrobenzenesulfonyl chloride (98-74-8) + 2-chloro-ethanol (107-07-3) → 2-chloroethyl p-nitrobenzenesulfonate (33318-72-8)

Guidance literature:

With dmap; triethylamine; In dichloromethane; at 20 ℃;

DOI:10.1021/jf304468b

Reference yield:

→ 2-chloroethyl p-nitrobenzenesulfonate (33318-72-8)

Guidance literature:

2-Chlorethanol, p-Nitrobenzolsulfonylchlorid;

Reference yield:

2-chloroethyl p-nitrobenzenesulfonate (33318-72-8) → C8H10ClNO3S (856372-12-8)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In ethyl acetate; at 20 ℃;

DOI:10.1021/jf304468b

upstream raw materials:

4-Nitrobenzenesulfonyl chloride

2-chloro-ethanol

Downstream raw materials:

2-chloroethyl 4-(3-(2,6-difluorobenzoyl)ureido)benzenesulfonate

C₈H₁₀ClNO₃S

Refernces