825-90-1

Basic information

• Product Name: Sodium 4-hydroxybenzenesulfonate
• Synonyms: 4-HYDROXYBENZENESULFONIC ACID SODIUM SALT;4-HYDROXYBENZENESULPHONIC ACID SODIUM SALT DIHYDRATE;4-hydroxy-benzenesulfonicacimonosodiumsalt;Benzenesulfonicacid,4-hydroxy-,monosodiumsalt;p-Phenolsulphonicacid,sodiumsalt;P-PHENOL SULFONIC ACID, NA;P-PHENOLSULFONIC ACID SODIUM SALT;SODIUM P-PHENOLSULFONATE
• CAS NO: 825-90-1
• Molecular Formula: C₆H₅O₄S*Na
• Molecular Weight: 196.16
• EINECS: 212-550-0
• Mol File: 825-90-1.mol
• Article Data: 7

Chemical Properties

• Melting Point: >300°C
• Boiling Point: 350℃[at 101 325 Pa]
• Appearance: White crystal powder
• Density: 1.574g/cm3
• Vapor Pressure: 0Pa at 20℃
• Storage Temp.: Inert atmosphere,Room Temperature
• Solubility: Methanol (Slightly), Water (Slightly)
• Water Solubility: 92.4g/L at 20℃
• CAS DataBase Reference: Sodium 4-hydroxybenzenesulfonate(CAS DataBase Reference)
• NIST Chemistry Reference: Sodium 4-hydroxybenzenesulfonate(825-90-1)
• EPA Substance Registry System: Sodium 4-hydroxybenzenesulfonate(825-90-1)

Safety Data

• Statements: 36/37/38
• Safety Statements: 26-37/39
• Hazardous Substances Data: 825-90-1(Hazardous Substances Data)

Usage

Description

Sodium 4-hydroxybenzenesulfonate, also known as 4-Hydroxybenzenesulfonic Acid, is an organic compound that serves as a valuable synthetic intermediate in various chemical reactions. It is characterized by the presence of a hydroxyl group and a sulfonate group attached to a benzene ring, which contributes to its unique chemical properties and reactivity.

Uses

Used in Chemical Synthesis:
Sodium 4-hydroxybenzenesulfonate is used as a synthetic intermediate for the production of difluoromethyl sulfonates. These compounds are important in the synthesis of various pharmaceuticals and agrochemicals, as well as in the development of new materials with specific properties.
Used in Pesticide Production:
In the agricultural industry, Sodium 4-hydroxybenzenesulfonate is used as a key component in the preparation of Famphur Oxon (F102330), which is a metabolite of Famphur (F102325). Famphur is an organophosphate insecticide and pesticide that is effective in controlling a wide range of pests. The use of Sodium 4-hydroxybenzenesulfonate in the synthesis of Famphur Oxon helps to improve the efficiency and effectiveness of this pesticide, contributing to better crop protection and yield.
Overall, Sodium 4-hydroxybenzenesulfonate plays a significant role in the chemical and agricultural industries due to its versatile applications in synthesis and pesticide production. Its unique chemical structure allows it to be a valuable building block for the development of new compounds and products that can address various needs and challenges.

Flammability and Explosibility

Notclassified

Purification Methods

It crystallises from hot water (1mL/g) by cooling to 0o, or from MeOH, and is dried in vacuum. [Beilstein 11 II 134.]

InChI:InChI=1/C6H6O4S.Na/c7-5-1-3-6(4-2-5)11(8,9)10;/h1-4,7H,(H,8,9,10);/q;+1/p-1

Upstream product

• 872-50-4 1-methyl-pyrrolidin-2-one 
• 98-67-9 p-hydoroxybenzenesulfonic acid 
• 108-95-2 phenol 
• 3885-04-9 4-acetoxybenzenesulfonic acid sodium salt 

Downstream Products

• 79119-26-9 4-acetoxybenzenesulfonyl chloride 
• 313681-72-0 (3-methyl-4-acetoxy)benzenesulfonyl chloride 
• 136885-27-3 Sodium; 4-(4-methyl-pentyloxy)-benzenesulfonate 
• 111712-04-0 4-phenylmethoxybenzenesulfonic acid sodium salt 
• 90936-71-3 N,N'-di(5-sodiumsulfonate-2-hydroxybenzyl)ethylenediamine-N,N'-diacetic acid 
• 6313-34-4 sodium 4-hydroxy-3-nitrobenzenesulfonate 
• 108072-50-0 Z-Ala-OH 4-sulfenyl ester sodium salt 
• 131153-06-5 sodium (S)-4-(2-methylbutoxy)benzenesulfonate 
• 4025-67-6 4-hydroxybenzene-1-sulfonyl chloride 
• 625814-26-8 4-(3-fluorobenzyloxy)benzene-1-sulfonyl chloride 

Relevant articles and documents

OPTICAL FLUORESCENT IMAGING USING CYANINE DYES

no abstract published

Promiscuity in antibody catalysis: Esterolytic activity of the decarboxylase 21D8

The high structural similarity of decarboxylase antibody 21D8 and esterase antibody 48G7 suggests that 21D8 might also possess hydrolytic activity. Kinetic investigations show that 21D8 does promote the selective hydrolysis of methyl 4-nitrophenyl carbonate and sodium 4-(acetoxy)benzenesulfonate with catalytic proficiencies (kcat/Km)/kun of ca. 105 M-1. The ability of 21D8 to accelerate a reaction for which it was not developed suggests that certain antibody scaffolds are intrinsically predisposed toward catalysis, a property that can be enhanced and refined during affinity maturation in response to a transition-state analog. At the same time, however, the restricted structural diversity of the immune system may ultimately limit the catalytic efficiency that can be achieved.

Structure-reactivity correlations in the dissociative hydrolysis of 2′,4′-dinitrophenyl 4-hydroxy-X-benzenesulfonates

The hydrolysis reactions of several title esters in water at 60°C follow the rate law kobs = (ka + kb[OH-])/(1 + αH/Ka), where Ka is the ionization constant of the hydroxy group of the ester and kb is the second-order rate constant for the SN2(S) attack of hydroxide ion on the ionized ester. Hammett and Br?nsted correlations are consistent with a previous proposal that the mechanism related to ka is dissociative. An unusual relationship between ka values and redox equilibrium constants for substituted quinones is found to hold: this finding further supports the dissociative nature of the pathway related to ka.