17438-29-8

Basic information

• Product Name: quinol sulfate
• Synonyms: quinol sulfate
• CAS NO: 17438-29-8
• Molecular Formula: C₆H₆O₅S
• Molecular Weight: 0
• Mol File: 17438-29-8.mol
• Article Data: 3

Chemical Properties

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Appearance: /
• Density: 1.669g/cm³
• CAS DataBase Reference: quinol sulfate(CAS DataBase Reference)
• NIST Chemistry Reference: quinol sulfate(17438-29-8)
• EPA Substance Registry System: quinol sulfate(17438-29-8)

Safety Data

• Hazardous Substances Data: 17438-29-8(Hazardous Substances Data)

Usage

Description

Quinol sulfate is an aryl sulfate derived from hydroquinone, with one of its two hydroxy groups substituted by a sulfo group. It is a chemical compound with potential applications in various industries due to its unique properties.

Uses

Used in Pharmaceutical Industry:
Quinol sulfate is used as an active pharmaceutical ingredient for its potential therapeutic effects. The compound may have applications in treating certain medical conditions due to its chemical structure and properties.
Used in Chemical Synthesis:
Quinol sulfate can be used as a chemical intermediate or reagent in the synthesis of other complex organic compounds. Its unique structure allows it to be a valuable building block in the development of new molecules with specific functions.
Used in Research and Development:
Due to its unique chemical properties, quinol sulfate may be utilized in research and development for studying various biological and chemical processes. It can serve as a model compound for understanding the behavior of similar aryl sulfates and their interactions with other molecules.

InChI:InChI=1/C6H6O5S/c7-5-1-3-6(4-2-5)11-12(8,9)10/h1-4,7H,(H,8,9,10)/p-1

Upstream product

• 123-31-9 hydroquinone 
• 96-76-4 2,4-di-tert-Butylphenol 

Relevant articles and documents

Reactions of the dihydroxybenzenes and their methyl ethers with sulfur trioxide. The effect of initial sulfation on the sulfonation product distribution

The sulfation and sulfonation resulting from the reaction of the dihydroxybenzenes and their mono- and dimethyl ethers with SO3 in nitromethane have been studied, and their product distributions are reported.As to the non-hydroxy-substituent-containing substrates, 1,2-dimethoxybenzene (3) yields the 4-sulfonic acid (3-4-S) which, upon further sulfonation, yields a 1:4 mixture of the 3,5- and 4,5-S2.The 1,3- (6) and 1,4-isomer (9) yield initially the 4- and 2-S, respectively, and subsequently exclusively 6-4,6- and 9-2,5-S2, respectively.With the substrates containing one hydroxy substituent, the sulfonation isomer distribution is dependent on the SO3 to substrate ratio if the OH and OMe substituents are in ortho or para orientation, due to increasing sulfonation of the corresponding methoxyphenyl hydrogen sulfate.Thus, 2-methoxy- (2) and 4-methoxyphenol (8) with one equiv of SO3 at 0 deg C yield a 3:1 mixture of 2-4-S and 2-5-S and a 9:1 mixture of 8-2-S and 8-3-S, respectively, but, with >/= 4 equiv of SO3, the former reactant yields only 2-5-S and the latter only 8-3-S. 3-Methoxyphenol (5) yields initially a 1:1 mixture of the 4- and 6-sulfonic acid.Further sulfonation yields only 5-O,4,6-S3 which slowly cyclizes to the 1,3,2,4-benzodioxadithiin 2,2,4,4-tetraoxide derivative 11.As to the dihydroxy-containing substrates, 1,2-dihydroxybenzene (1) with 1 equiv of SO3 first yields the hydrogen sulfate 1-O-S which rearranges to 1-4-S; on using an excess of SO3, the eventual product is 1-O(2),4-S2.Similarly, the 1,4-isomer (7) with 1 equiv of SO3 yields initially 7-O-S which isomerizes to 7-2-S.With 6 equiv of SO3, initially 7-O,O-S2 is formed and subsequently its 2-sulfonic acid, which eventually cyclizes slowly to the 1,3,2,4-benzodioxadithiin 2,2,4,4-tetraoxide derivative 12.The 1,3-isomer 4 with 1 equiv of SO3 yields the 4-sulfonic acid.With 4 equiv of SO3, initially 4-O,O-S2 is formed and subsequently 4-4,O,O-S3, which is converted into both 4-O,O,4,6-S4 and the cyclization product 10.Eventually, small amounts of 4-O,2,4,6-S4 and 14-2,6-S2 are formed by transsulfonation.

Kinetic Studies of the Sulfonation of 2-tert-Butylphenol with Chlorosulfonic Acid

The sulfonation of 2-tert-butylphenol with chlorosulfonic acid in dichloromethane at -30 deg C has been studied.A total of 13 acids have been identified in the reaction mixture.They are derivatives of phenol, 2-tert-butylphenol, 4-tert-butylphenol and 2,4-di-tert-butylphenol.First-order rate constants have been obtained for most of the reactions and a two-phase reaction mechanism is discussed with respect to direct sulfonation, sulfate ester rearrangement and ipso sulfonation.