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556149

Sigma-Aldrich

4-Isopropylbenzenesulfonyl chloride

technical grade

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About This Item

Linear Formula:
(CH3)2CHC6H4SO2Cl
CAS Number:
54997-90-9
Molecular Weight:
218.70
MDL number:
MFCD00041510
UNSPSC Code:
12352100
PubChem Substance ID:
24879523
NACRES:
NA.22

grade

technical grade

form

solid

refractive index

n20/D 1.5410 (lit.)

density

1.220 g/mL at 25 °C (lit.)

SMILES string

CC(C)c1ccc(cc1)S(Cl)(=O)=O

InChI

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

InChI key

CETRNHJIXGITKR-UHFFFAOYSA-N

General description

4-Isopropylbenzenesulfonyl chloride can be synthesized from isopropylbenzene via chlorosulfonation.[1]

Application

4-Isopropylbenzenesulfonyl chloride may be used to synthesize chlorosulfonyl-functionalized ATRP (Atom transfer radical polymerization) initiator and 4-isopropylbenzenethiol.[2]

Pictograms

Corrosion
GHS05

Signal Word

Danger

Hazard Statements

H314

Hazard Classifications

Skin Corr. 1B

Storage Class Code

8A - Combustible corrosive hazardous materials

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
MKBB1480
23796PJ
23696PJ
09314TH
05714TH

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Original route to polylactide-polystyrene diblock copolymers containing a sulfonyl group at the junction between both blocks as precursors to functional nanoporous materials.
Majdoub R, et al.
Reactive functional Polymers, 72(8), 495-502 (2012)
Daniele Casarini et al.
The Journal of organic chemistry, 71(16), 6248-6250 (2006-07-29)
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 (DeltaG(double dagger) = 6.5 kcal mol(-1)). The barrier is lower than that measured for a trans thianthrene

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