636-78-2

Basic information

• Product Name: 4-Sulfobenzoate
• Synonyms: 4-Sulfobenzoate;4-SULPHOBENZOICACID;p-Sulfobenzoic acid;4-Carboxybenzenesulfonic acid
• CAS NO: 636-78-2
• Molecular Formula: C₇H₆O₅S
• Molecular Weight: 202.1845
• Mol File: 636-78-2.mol
• Article Data: 12

Chemical Properties

• Appearance: /
• Density: 1.62 g/cm³
• CAS DataBase Reference: 4-Sulfobenzoate(CAS DataBase Reference)
• NIST Chemistry Reference: 4-Sulfobenzoate(636-78-2)
• EPA Substance Registry System: 4-Sulfobenzoate(636-78-2)

Safety Data

• Hazardous Substances Data: 636-78-2(Hazardous Substances Data)

Usage

Description

4-Sulfobenzoate, also known as para-sulfobenzoic acid, is a sulfobenzoic acid in which the sulfonic acid and carboxylic acid groups are in a para-relationship. It is a white crystalline solid that is soluble in water and has a molecular formula of C7H6O5S.

Uses

Used in Chemical Synthesis:
4-Sulfobenzoate is used as a chemical intermediate for the synthesis of various organic compounds, including dyes, pharmaceuticals, and agrochemicals. Its unique para-sulfonated structure allows for versatile chemical reactions and functional group transformations.
Used in Analytical Chemistry:
4-Sulfobenzoate is used as a reagent in analytical chemistry for the determination of metal ions, such as copper, zinc, and cadmium. It forms stable complexes with these metal ions, which can be analyzed using spectrophotometric or chromatographic techniques.
Used in Environmental Applications:
4-Sulfobenzoate is used in environmental applications for the removal of heavy metal ions from wastewater. Its strong chelating properties enable it to bind and precipitate heavy metal ions, thus reducing their concentration in the water.
Used in Pharmaceutical Industry:
4-Sulfobenzoate is used as a building block for the synthesis of pharmaceutical compounds, particularly those with anti-inflammatory, analgesic, and antipyretic properties. Its para-sulfonated structure can be modified to create new drug candidates with improved pharmacological properties.
Used in Dye Industry:
4-Sulfobenzoate is used as a precursor in the synthesis of various dyes, such as azo dyes and anthraquinone dyes. Its para-sulfonated structure allows for the formation of dyes with specific color properties and improved solubility in water.
Used in Agrochemical Industry:
4-Sulfobenzoate is used in the agrochemical industry for the synthesis of herbicides, insecticides, and fungicides. Its para-sulfonated structure can be modified to create new agrochemical compounds with enhanced efficacy and selectivity.

InChI:InChI=1/C7H6O5S/c8-7(9)5-1-3-6(4-2-5)13(10,11)12/h1-4H,(H,8,9)(H,10,11,12)

Upstream product

• 138-41-0 4-(aminosulfonyl)-benzoic acid 
• 657-84-1 sodium tosylate 
• 104-15-4 toluene-4-sulfonic acid 
• 108-88-3 toluene 
• 65-85-0 benzoic acid 
• 86674-13-7 4-(methyl-nitro-sulfamoyl)-benzoic acid 
• 65501-26-0 4-sulfonatoperbenzoic acid 
• 7291-22-7 perdeuteriopyridine 
• 105-13-5 4-Methoxybenzyl alcohol 
• 7664-93-9 sulfuric acid 
• 7446-11-9 sulfur trioxide 
• 64-17-5 ethanol 
• 7732-18-5 water 
• 98-87-3 benzylidene dichloride 

Downstream Products

• 51307-73-4 4-(methoxycarbonyl)benzenesulfonic acid 
• 13152-87-9 4-cyanobenzenesulfonic acid 
• 5363-54-2 benzaldehyde-4-sulfonic acid 
• 14844-81-6 4-(ethoxycarbonyl)benzenesulfonic acid 
• 100-21-0 terephthalic acid 
• 439693-71-7 3-nitro-4-sulfo-benzoic acid 
• 99-96-7 4-hydroxy-benzoic acid 
• 94781-74-5 1,3-dimethyl-6-amino-5-(p-sulfobenzamido)uracil 
• 104393-34-2 4-(1,3-dimethyl-7-oxopyrazolo<4,3-d>pyrimidin-5-yl)benzenesulfonic acid 
• 7516-60-1 4-chlorosulfonylbenzoyl chloride 
• 10130-89-9 p-carboxyphenylsulfonyl chloride 
• 65-85-0 benzoic acid 
• 74-11-3 para-chlorobenzoic acid 
• 152529-72-1 6-amino-3-propyl-5-(4-sulfophenyl)carboxamidouracil 

Relevant articles and documents

Kinetics and mechanism of the oxidation of water soluble porphyrin Fe IIITPPS with hydrogen peroxide and the peroxomonosulfate ion

The overall six-electron oxidation of water soluble porphyrin Fe IIITPPS by hydrogen peroxide and peroxomonosulfate ion was studied by the stopped-flow method with UV-vis detection. A three-step consecutive reaction was observed with two intermediates: FeIIITPPS → Int1 → Int2 → products. The products were identified as the iron(iii) complex of the biliverdin analog formed from TPPS and 4-sulfobenzoic acid. All the rate constants with both oxidizing agents were determined. Intermediate Int1 is proposed to be the species (TPPS+)FeIVO. Although no unambiguous proposal for the structure of Int2 can be made, it is most probably the product of the four-electron oxidation of the original FeIIITPPS, contains an iron-oxo center and has a dissociable proton with a pK of around 3.1. In spite of the protolytic equilibria occuring in the pH region 2-4, the kinetic observations do not show pH dependence. The Royal Society of Chemistry.

Continuous production method of benzoic acid derivative

The invention relates to the technical field of preparation of benzoic acid derivatives. The invention particularly relates to a continuous production method of a benzoic acid derivative. The continuous reaction device is characterized by comprising a small-diameter sleeve, wherein the small-diameter sleeve is sleeved with a large-diameter sleeve, and a small pipeline is arranged between the small-diameter sleeve and the large-diameter sleeve, and a plurality of small holes are arranged on the small pipeline. The small-diameter casing is rotated, the large-diameter casing is fixed, and the reaction liquid composed of the nitric acid and the toluene derivative is between a small-diameter casing pipe and a large-diameter casing pipe.

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

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.