138-36-3

Basic information

• Product Name: 4-BROMOBENZENESULFONIC ACID MONOHYDRATE
• Synonyms: 4-BROMOBENZENESULFONIC ACID MONOHYDRATE;4-Bromophenylsulfonic acid;p-Bromobenzenesulfonic acid;p-Bromophenylsulfonic acid
• CAS NO: 138-36-3
• Molecular Formula: C₆H₅BrO₃S
• Molecular Weight: 255.09
• Mol File: 138-36-3.mol
• Article Data: 26

Chemical Properties

• Melting Point: 90-93 °C(lit.)
• Appearance: /
• Density: 1.846
• Refractive Index: 1.6150 (estimate)
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: -0.83±0.50(Predicted)
• Water Solubility: 492.9g/L(82.3 oC)
• CAS DataBase Reference: 4-BROMOBENZENESULFONIC ACID MONOHYDRATE(CAS DataBase Reference)
• NIST Chemistry Reference: 4-BROMOBENZENESULFONIC ACID MONOHYDRATE(138-36-3)
• EPA Substance Registry System: 4-BROMOBENZENESULFONIC ACID MONOHYDRATE(138-36-3)

Safety Data

• Hazard Codes: C
• Statements: 34
• Safety Statements: 22-26-36/37/39-45
• RIDADR: UN 3261 8/PG 2
• WGK Germany: 3
• Hazardous Substances Data: 138-36-3(Hazardous Substances Data)

Usage

General Description

4-Bromobenzenesulfonic acid monohydrate is a chemical compound with the molecular formula C6H6BrO4S. It is a white to off-white crystalline solid that is soluble in water and polar organic solvents. 4-BROMOBENZENESULFONIC ACID MONOHYDRATE is commonly used as a reagent in organic synthesis, particularly in the preparation of dyes, pharmaceuticals, and agrochemicals. It is also used as a catalyst for a variety of chemical reactions. 4-Bromobenzenesulfonic acid monohydrate is known for its strong acidic properties and is often used in the production of sulfonic acid derivatives. It is important to handle this compound with care, as it is corrosive and can cause irritation to the skin, eyes, and respiratory system.

InChI:InChI=1/C6H5BrO3S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,(H,8,9,10)

Upstream product

• 98-58-8 4-bromobenzenesulfonyl chloride 
• 21816-03-5 2-phenyl-2-methylpropyl tosylate 
• 50978-07-9 1-p-nitrophenylcyclobutylcarbinyl brosylate 
• 50978-05-7 1-phenylcyclobutylcarbinyl brosylate 
• 7664-93-9 sulfuric acid 
• 7790-94-5 chlorosulfonic acid 
• 108-86-1 bromobenzene 
• 7446-11-9 sulfur trioxide 
• 115-17-3 bromal 
• 305-80-6 4-diazobenzenesulfonic acid 
• 10035-10-6 hydrogen bromide 
• 106-53-6 para-bromobenzenethiol 
• 589-87-7 1,4-bromoiodobenzene 
• 117869-21-3 C₁₀H₅BrCl₂O₂S 

Downstream Products

• 108-86-1 bromobenzene 
• 576-92-1 bromobenzene-2-sulfonic acid 
• 22033-09-6 3-bromobenzene-1-sulfonic acid 
• 93897-73-5 1,3-dibrosylpropane 
• 98-11-3 benzenesulfonic acid 
• 14248-47-6 4-bromo-benzenesulfonic acid-anhydride 
• 98-58-8 4-bromobenzenesulfonyl chloride 
• 6647-76-3 p-bromobenzenesulfonyl azide 
• 27297-80-9 4-bromo-benzenesulfonic acid benzyl ester 
• 7454-54-8 4-bromo-N-phenylbenzenesulfonamide 
• 1612887-75-8 C₅₉H₈₅N₅O₁₄S 
• 1788-08-5 4-ethynylbenzenesulfonamide 
• 775331-26-5 4-((trimethylsilyl)ethynyl)benzenesulfonamide 
• 68667-99-2 1-bromo-4-[(E)-2-phenylethenesulfonyl]benzene 

Relevant articles and documents

-

-

Use of 33S Chemical Shifts to Determine pKa's of Arenesulfonic Acids

-

Sustainable access to sulfonic acids from halides and thiourea dioxide with air

A sustainable and mild one-step strategy is explored for the synthesis of aryl and alkyl sulfonic acids using a facile combination of halides and sulfur dioxide surrogates under air. The cheap industrial material thiourea dioxide was employed as an eco-friendly and easy-handling sulfur dioxide surrogate, while air was used as a green oxidant. Both aryl and alkyl sulfonic acids were obtained under transition metal-catalyzed or transition metal-free conditions. Mechanistic studies demonstrated that sulfinate was involved as an intermediate in this transformation. Notably, this protocol has been applied to the late-stage sulfonation of the drugs naproxen, isoxepac and ibuprofen.

Regioselective Sulfonation of Aromatic Compounds over 1,3-Disulfonic Acid Imidazolium Chloride under Aqueous Media

1,3-Disulfonic acid imidazolium chloride ([Dsim]Cl), as a Bronsted acidic ionic liquid, is introduced for the sulfonation of aromatic compounds by in situ generation of sulfuric acid at 50 °C under mild conditions and in aqueous medium.