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

Uses

4-Hydroxybenzenesulfonic Acid is a useful synthetic intermediate. It is used in the synthesis of difluoromethyl sulfonates. It can be also used to prepare Famphur Oxon (F102330) which is a metabolite of Famphur (F102325), an organophosphate insecticide and pesticide.

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

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

Downstream Products

• 90936-71-3 N,N'-di(5-sodiumsulfonate-2-hydroxybenzyl)ethylenediamine-N,N'-diacetic acid 
• 131153-06-5 sodium (S)-4-(2-methylbutoxy)benzenesulfonate 
• 136885-27-3 Sodium; 4-(4-methyl-pentyloxy)-benzenesulfonate 
• 6313-34-4 sodium 4-hydroxy-3-nitrobenzenesulfonate 
• 3885-04-9 4-acetoxybenzenesulfonic acid sodium salt 
• 477585-26-5 sodium 4-(2-methylquinolin-4-ylmethoxy)benzenesulfonate 
• 32978-68-0 ethyl (4-chlorosulfonyl)phenyl carbonate 
• 169283-93-6 sodium lauroyloxybenzenesulfonate 
• 181213-09-2 nonanoyloxybenzenesulfonate sodium 
• 69497-82-1 4-methanesulfonyloxy-benzenesulfonic acid sodium salt 
• 352209-87-1 sodium 4-butoxybenzenesulfonate 
• 138557-92-3 4-(3-bromopropoxy)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.