54997-90-9

Basic information

• Product Name: 4-ISOPROPYLBENZENESULFONYL CHLORIDE
• Synonyms: 4-ISOPROPYLBENZENESULFONYL CHLORIDE;4-ISOPROPYLBENZENESULPHONYL CHLORIDE;AKOS B019384;ART-CHEM-BB B019384;Cumene-4-sulphonyl chloride;4-Isopropyl Benzensulfonyl Chloride;4-ISOPROPYLBENZENESULFONYL CHLORIDE, TECH GRADE;Cumene-4-sulfonylchloride
• CAS NO: 54997-90-9
• Molecular Formula: C₉H₁₁ClO₂S
• Molecular Weight: 218.7
• EINECS: -0
• Product Categories: Boron, Nitrile, Thio,& TM-Cpds;Benzene derivates;Organic Building Blocks;Sulfonyl Halides;Sulfur Compounds
• Mol File: 54997-90-9.mol
• Article Data: 11

Chemical Properties

• Melting Point: 51-52 °C
• Boiling Point: 142-143 °C (12 mmHg)
• Flash Point: 143 °F
• Appearance: clear yellow to orange liquid
• Density: 1.220 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.00568mmHg at 25°C
• Refractive Index: n20/D 1.5410(lit.)
• Storage Temp.: Inert atmosphere,Room Temperature
• Sensitive: Moisture Sensitive
• BRN: 1103862
• CAS DataBase Reference: 4-ISOPROPYLBENZENESULFONYL CHLORIDE(CAS DataBase Reference)
• NIST Chemistry Reference: 4-ISOPROPYLBENZENESULFONYL CHLORIDE(54997-90-9)
• EPA Substance Registry System: 4-ISOPROPYLBENZENESULFONYL CHLORIDE(54997-90-9)

Safety Data

• Hazard Codes: C
• Statements: 34-29
• Safety Statements: 26-36/37/39-45
• RIDADR: UN 3265 8/PG 2
• WGK Germany: 3
• HazardClass: 8
• PackingGroup: II
• Hazardous Substances Data: 54997-90-9(Hazardous Substances Data)

Usage

Chemical Properties

clear yellow to orange liquid

Uses

4-Isopropylbenzenesulfonyl chloride may be used to synthesize chlorosulfonyl-functionalized ATRP (Atom transfer radical polymerization) initiator and 4-isopropylbenzenethiol.

General Description

4-Isopropylbenzenesulfonyl chloride can be synthesized from isopropylbenzene via chlorosulfonation.

InChI:InChI=1/C9H11ClO2S/c1-7(2)8-3-5-9(6-4-8)13(10,11)12/h3-7H,1-2H3

Upstream product

• 219741-32-9 4-isopropylbenzenesulfonyl hydrazide 
• 4946-14-9 4-mercapto-cumene 
• 98-82-8 Isopropylbenzene 
• 16066-35-6 p-cumenesulfonic acid 

Downstream Products

• 92876-80-7 4-isopropyl-benzenesulfinic acid 
• 558-67-8 perfluoro-4-isopropylcyclohexanesulfonylfluoride 
• 98173-37-6 N-(5-cyclohexyl-[1,3,4]oxadiazol-2-yl)-4-isopropyl-benzenesulfonamide 
• 852063-85-5 4-isopropyl-benzenesulfonic acid 7-cyano-2,3-diphenyl-indolizin-1-yl ester 

Relevant articles and documents

Facile synthesis of sulfonyl chlorides/bromides from sulfonyl hydrazides

A simple and rapid method for efficient synthesis of sulfonyl chlorides/bromides from sulfonyl hydrazide with NXS (X = Cl or Br) and late-stage conversion to several other functional groups was described. A variety of nucleophiles could be engaged in this transformation, thus permitting the synthesis of complex sulfonamides and sulfonates. In most cases, these reactions are highly selective, simple, and clean, affording products at excellent yields.

Ring inversion dynamics of derivatives of thianthrene di- and tetraoxide

The ring inversion barrier for thianthrene tetraoxide was determined by making use of the variable temperature 13C NMR spectra of the 2,7-diisopropyl derivative (ΔG? = 6.5 kcal mol-1). The barrier is lower than that measured for a trans thianthrene dioxide derivative (ΔG? = 9.35 kcal mol-1). These results agree well with ab initio theoretical predictions.

Use of N-(4-aryl-thiazol-2-yl)-sulfonamides

The invention is concerned with the use of sulfonamide derivatives of the general formula STR1 wherein R signifies lower-alkyl, phenyl, benzyl, naphthyl, pyridyl or thienyl, optionally substituted by one or more lower-alkyl, lower-alkoxy, lower-alkyl carb