4-Nitrophenyl 4-chlorobenzenesulfonate

Base Information

• Chemical Name: 4-Nitrophenyl 4-chlorobenzenesulfonate
• CAS No.: 26971-85-7
• Molecular Formula: C12H8 Cl N O5 S
• Molecular Weight: 313.718
• Hs Code.: 2906299090
• NSC Number: 48504
• DSSTox Substance ID: DTXSID90286992
• Nikkaji Number: J293.894D
• Wikidata: Q82022876
• Mol file: 26971-85-7.mol

Synonyms:26971-85-7;4-nitrophenyl 4-chlorobenzenesulfonate;NSC48504;DTXSID90286992;NSC-48504;AKOS008677984;Benzenesulfonic acid, 4-chloro-, 4-nitrophenyl ester

Chemical Property of 4-Nitrophenyl 4-chlorobenzenesulfonate

Chemical Property:

• Vapor Pressure: 4.4E-09mmHg at 25°C
• Boiling Point: 484.8°Cat760mmHg
• Flash Point: 247°C
• PSA: 97.57000
• Density: 1.516g/cm³
• LogP: 4.61990
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 312.9811712
• Heavy Atom Count: 20
• Complexity: 428

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1[N+](=O)[O-])OS(=O)(=O)C2=CC=C(C=C2)Cl

Technology Process of 4-Nitrophenyl 4-chlorobenzenesulfonate

There total 2 articles about 4-Nitrophenyl 4-chlorobenzenesulfonate 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: 76.0%

4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + sodium p-chlorobenzenesulphinate (14752-66-0) → p-Nitrophenyl p-chlorobenzenesulphonate (26971-85-7)

Guidance literature:

With sodium iodide; In acetonitrile; at 20 ℃; for 4h; Electrochemical reaction; Green chemistry;

DOI:10.1016/j.tet.2021.132444

Reference yield:

4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + 4-chlorobenzenesulfonyl chloride (98-60-2) → p-Nitrophenyl p-chlorobenzenesulphonate (26971-85-7)

Guidance literature:

With sodium hydroxide; In acetone; at 0 ℃; for 2h;

Reference yield:

p-Nitrophenyl p-chlorobenzenesulphonate (26971-85-7) + 4-chlorobenzylamine (104-86-9) → 4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + 4-chloro-benzenesulfonic acid (98-66-8) + N-(4-chlorobenzyl)-4-nitroaniline + 4-chloro-N-(4-chlorobenzyl)benzenesulfonamide

Guidance literature:

In acetonitrile; at 65 ℃; Kinetics;

DOI:10.1021/jo0161835

upstream raw materials:

4-nitro-phenol

4-chlorobenzenesulfonyl chloride

sodium p-chlorobenzenesulphinate

Downstream raw materials:

4-nitro-phenol

4-chloro-benzenesulfonic acid

4-chloro-N-(4-methoxybenzyl)benzenesulfonamide

N-benzyl-4-nitroaniline

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