Benzenesulfonic acid, p-bromo-, p-nitrophenyl ester

Base Information

• Chemical Name: Benzenesulfonic acid, p-bromo-, p-nitrophenyl ester
• CAS No.: 53271-19-5
• Molecular Formula: C12H8BrNO5S
• Molecular Weight: 358.169
• NSC Number: 406695
• DSSTox Substance ID: DTXSID00201398
• Wikidata: Q83074617
• Mol file: 53271-19-5.mol

Synonyms:Benzenesulfonic acid, p-bromo-, p-nitrophenyl ester;53271-19-5;p-Nitrophenyl p-bromobenzenesulfonate;4-nitrophenyl 4-bromobenzenesulfonate;(4-nitrophenyl) 4-bromobenzenesulfonate;BRN 2882865;AI3-03743;Benzenesulfonic acid, 4-bromo-, 4-nitrophenyl ester;3-11-00-00100 (Beilstein Handbook Reference);DTXSID00201398;NSC406695;AKOS008677985;NSC 406695;NSC-406695

Chemical Property of Benzenesulfonic acid, p-bromo-, p-nitrophenyl ester

Chemical Property:

• Vapor Pressure: 1.29E-09mmHg at 25°C
• Boiling Point: 499.4°C at 760 mmHg
• Flash Point: 255.8°C
• Density: 1.696g/cm³
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 356.93066
• Heavy Atom Count: 20
• Complexity: 428

Purity/Quality:

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)Br

Technology Process of Benzenesulfonic acid, p-bromo-, p-nitrophenyl ester

There total 1 articles about Benzenesulfonic acid, p-bromo-, p-nitrophenyl ester 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-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + 4-bromobenzenesulfonyl chloride (98-58-8) → 4-bromo-benzenesulfonic acid-(4-nitro-phenyl ester) (53271-19-5)

Guidance literature:

With pyridine;

DOI:10.1021/ja01328a503

Reference yield:

4-bromo-benzenesulfonic acid-(4-nitro-phenyl ester) (53271-19-5) → p-nitrobenzene iodide (636-98-6)

Guidance literature:

With dodecyltributylphosphonium iodide; at 100 ℃;

DOI:10.1021/ja00308a045

upstream raw materials:

4-nitro-phenol

4-bromobenzenesulfonyl chloride

Downstream raw materials:

p-nitrobenzene iodide

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