2,4,6-Tribromobenzenesulfonyl chloride

Base Information

• Chemical Name: 2,4,6-Tribromobenzenesulfonyl chloride
• CAS No.: 115876-73-8
• Molecular Formula: C6H2Br3ClO2S
• Molecular Weight: 413.312
• Hs Code.: 2904909090
• European Community (EC) Number: 674-753-4
• DSSTox Substance ID: DTXSID90553116
• Wikidata: Q82433626
• Mol file: 115876-73-8.mol

Synonyms:2,4,6-Tribromobenzenesulfonyl chloride;115876-73-8;2,4,6-tribromobenzene-1-sulfonyl chloride;2,4,6-Tribromobenzenesulfonylchloride;MFCD09996887;Benzenesulfonyl chloride, 2,4,6-tribromo-;DTXSID90553116;AKOS005255504;FS-5489;CS-0239285;EN300-208857;J-003330

Chemical Property of 2,4,6-Tribromobenzenesulfonyl chloride

Chemical Property:

• Vapor Pressure: 1.07E-05mmHg at 25°C
• Melting Point: 64-66 °C(Solv: hexane (110-54-3))
• Boiling Point: 382°C at 760 mmHg
• Flash Point: 184.8°C
• PSA: 42.52000
• Density: 2.366g/cm³
• LogP: 4.98240
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 411.69937
• Heavy Atom Count: 13
• Complexity: 264

Purity/Quality:

97% ^*data from raw suppliers

2,4,6-TribromobenzenesulfonylChloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1Br)S(=O)(=O)Cl)Br)Br

Technology Process of 2,4,6-Tribromobenzenesulfonyl chloride

There total 2 articles about 2,4,6-Tribromobenzenesulfonyl 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: 70.0%

1,3,5-trisbromobenzene (626-39-1) → 2,4,6-tribromobenzene-1-sulfonyl chloride (115876-73-8)

Guidance literature:

With chlorosulfonic acid; at 110 ℃; for 1.75h;

Reference yield:

→ 2,4,6-tribromobenzene-1-sulfonyl chloride (115876-73-8)

Guidance literature:

With phosphorus pentachloride;

Reference yield: 85.0%

N-Methylpyrrole (96-54-8) + 2,4,6-tribromobenzene-1-sulfonyl chloride (115876-73-8) → 1-methyl-2-(2,4,6-tribromophenyl)pyrrole

Guidance literature:

With dichloro bis(acetonitrile) palladium(II); lithium carbonate; In 1,4-dioxane; at 140 ℃; for 40h; regioselective reaction; Inert atmosphere; Schlenk technique;

DOI:10.1002/ejoc.201500354

upstream raw materials:

1,3,5-trisbromobenzene

Downstream raw materials:

2,4,6-Tribromo-benzenesulfonic acid (1R,2R)-2-hydroxy-cyclohexyl ester

C₁₈H₁₄Br₆O₆S₂

2,4,6-Tribromo-benzenesulfonic acid ethyl ester