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4-Bromobenzenesulfonic acid monohydrate, with the molecular formula C6H6BrO4S, is a white to off-white crystalline solid that exhibits strong acidic properties. It is soluble in water and polar organic solvents, making it a versatile compound for various applications in organic synthesis.

138-36-3

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138-36-3 Usage

Uses

Used in Organic Synthesis:
4-BROMOBENZENESULFONIC ACID MONOHYDRATE is used as a reagent for the preparation of dyes, pharmaceuticals, and agrochemicals due to its strong acidic properties and solubility in water and polar organic solvents.
Used in Catalyst Applications:
4-BROMOBENZENESULFONIC ACID MONOHYDRATE is used as a catalyst in a variety of chemical reactions, enhancing the efficiency and selectivity of these processes.
Used in Sulfonic Acid Derivatives Production:
4-BROMOBENZENESULFONIC ACID MONOHYDRATE is used as a precursor in the production of sulfonic acid derivatives, which are important intermediates in the synthesis of various chemical compounds.
Used in Chemical Research:
4-BROMOBENZENESULFONIC ACID MONOHYDRATE is used as a research tool in the study of chemical reactions and mechanisms, providing insights into the behavior of acidic compounds in different reaction conditions.
Safety Precautions:
It is important to handle 4-BROMOBENZENESULFONIC ACID MONOHYDRATE with care, as it is corrosive and can cause irritation to the skin, eyes, and respiratory system. Proper protective equipment and handling procedures should be followed to minimize potential hazards.

Check Digit Verification of cas no

The CAS Registry Mumber 138-36-3 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 1,3 and 8 respectively; the second part has 2 digits, 3 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 138-36:
(5*1)+(4*3)+(3*8)+(2*3)+(1*6)=53
53 % 10 = 3
So 138-36-3 is a valid CAS Registry Number.
InChI:InChI=1/C6H5BrO3S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,(H,8,9,10)

138-36-3SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-BROMOBENZENESULFONIC ACID MONOHYDRATE

1.2 Other means of identification

Product number -
Other names para-bromobenzenesulfonic acid

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:138-36-3 SDS

138-36-3Relevant academic research and scientific papers

Biomimetic transformation and biological activities of globiferin, a terpenoid benzoquinone from Cordia globifera

Dettrakul, Suppamit,Surerum, Sanya,Rajviroongit, Shuleewan,Kittakoop, Prasat

, p. 861 - 865 (2009)

A new 10-membered ring meroterpene (1), named globiferin, was isolated from root extracts of Cordia globifera. Biomimetic transformations of 1 and its derivatives, either by acid cyclization or by Cope rearrangement, provided information relating to the b

Aryl and alkyl sulfonic acid compounds as well as construction method adopting inorganic sulfur salt and application

-

Paragraph 0046-0049; 0076-0079, (2020/09/16)

The invention discloses aryl and alkyl sulfonic acid compounds as shown in a formula (1) and a synthesis method thereof. The method comprises the following step: aromatic iodine and an inorganic sulfur source or alkyl bromide and an inorganic sulfur source as reaction raw materials react in a solvent under the action of alkali, a catalyst or an additive to obtain a series of aryl and alkyl sulfonic acid compounds. According to the method, the aryl and alkyl sulfonic acid compounds are constructed in one step by taking an inorganic sulfur reagent as a sulfur source, so that the defect of the mode in which the aryl and alkyl sulfonic acid compounds are synthesized by taking concentrated sulfuric acid, chlorosulfonic acid or sulfur dioxide gas and the like as sulfonating reagents in the priorart is avoided. The aryl and alkyl sulfonic acid compounds developed by the invention can be used for synthesizing aryl and alkyl sulfonic acid drug analogues.

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

Zhang, Hui,Wang, Ming,Jiang, Xuefeng

supporting information, p. 8238 - 8242 (2020/12/29)

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.

Cornforth and Corey-Suggs reagents as efficient catalysts for sulfonation of aromatic and heteroaromatic compounds using NaHSO3 under solvent free and microwave conditions

Fatima, Touheeth,Duguta, Govardhan,Purugula, Venkanna,Yelike, Hemanth Sriram,Kamatala, Chinna Rajanna

, p. 1001 - 1006 (2020/07/27)

Cornforth and Corey-Suggs reagents Pyridinium Dichromate (PDC) and Pyridinium Chlorochromate (PCC) were explored as efficient catalysts for sulfonation of aromatic and heteroaromatic compounds using NaHSO3 in aqueous acetonitrile medium at room temperature within 1–4 h, while microwave assisted reactions took place within 1–4 min under solvent-free conditions. These observations indicate significant rate accelerations in microwave assisted reactions. which were explained due to the bulk activation of molecules induced by insitu generated high temperatures and pressures when microwaves are transmitted through reaction medium.

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

Moosavi-Zare, Ahmad Reza,Zolfigol, Mohammad Ali,Noroozizadeh, Ehsan

, p. 1682 - 1684 (2016/07/06)

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.

Sulfides, sulfones, and sulfoxides of the furan-2(5H)-one series. synthesis and structure

Latypova,Saigitbatalova, E. Sh.,Chulakova,Lodochnikova,Kurbangalieva,Berdnikov,Chmutova

, p. 521 - 534 (2014/06/10)

A number of 4- and 5-R-sulfanylfuran-2(5H)-one derivatives were synthesized, and their oxidation with various reagents was studied. The corresponding sulfones were obtained using hydrogen peroxide in acetic acid. 4-R-sulfanyl derivatives were selectively oxidized to sulfoxides with m-chloroperoxybenzoic acid. The molecular and crystal structures of some new sulfones and sulfoxides were determined by X-ray analysis.

A kinetic study of acid-catalyzed hydrolysis of some arylsulfonyl phthalimides

Kutuk, Halil,Ozturk, Seyhan

scheme or table, p. 332 - 340 (2009/09/25)

The acid-catalyzed hydrolysis of arylsulfonyl phthalimides was studied in aqueous solutions of sulfuric, perchloric, and hydrochloric acid at 35.0 ± 0.1C. Analysis of the data by the excess acidity method and activation parameters, as well as substituent and solvent isotope effects, indicate hydrolysis by an A-2 mechanism at low acidity. At higher acidities, a changeover to an A-1 mechanism is observed.

General, fast, and high yield oxidation of thiols and disulfides to sulfonic and sulfinic acids using HOF·CH3CN

Shefer, Neta,Carmeli, Mira,Rozen, Shlomo

, p. 8178 - 8181 (2008/03/14)

Thiols and disulfides are oxidized to the corresponding sulfonic and sulfinic acids using HOF·CH3CN. This oxidation is suitable for a variety of thiols and disulfides and proceeds under mild conditions, in short reaction times and with high yields.

A novel method for sulfonation of aromatic rings with silica sulfuric acid

Hajipour, Abdol R.,Mirjalili, Bi Bi F.,Zarei, Amin,Khazdooz, Leila,Ruoho

, p. 6607 - 6609 (2007/10/03)

Direct and chemoselective sulfonation of aromatic compounds with silica sulfuric acid in 1,2-dichloeoethane or under solvent-free conditions.

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