Bis(4-tert-butylphenyl)iodonium perfluoro-1-butanesulfonate

CAS NO.：194999-85-4
Empirical Formula: C20H26I.C4F9O3S
Molecular Weight: 692.414
MDL number: MFCD02683473
SAFETY DATA SHEET (SDS)
Update Date: 2024-04-24 17:21:45

What is Bis(4-tert-butylphenyl)iodonium perfluoro-1-butanesulfonate?

The Uses of Bis(4-tert-butylphenyl)iodonium perfluoro-1-butanesulfonate

Cationic photoinitiator. Photoacid generator.

Research

To test the reactivity of gaseous 18F-AcF in radiofluorination, bis(4-tert-butylphenyl)iodonium perfluoro-1-butanesulfonate was radiofluorinated with anhydrous 18F-CsF (generated from 18F-AcF and 20 mg Cs2CO3) in 0.3 mL anisole. The results supported the high reactivity for 18F-fluoride derived from 18F-AcF [1]. Bis(4-tert-butylphenyl)iodonium perfluoro-1-butanesulfonate is a photoinitiator (PI). The photoinitiator (PI) mechanisms are radical and cationic. In the cationic PI system, light is absorbed, causing heterolytic and homolytic cleavage that forms a cationic portion (labeled in green) and anionic portion (labeled in pink). The generated molecules are reactive with monomers, forming an acid and free radicals, propagating polymerization[2].
Bis(4-tert-butylphenyl)iodonium perfluoro-1-butanesulfonate

References

[1] Huailei Jiang , Timothy R. DeGrado, Stephen G. DiMagno . “Production and transport of gaseous 18F-synthons: 18F-acyl fluorides.” Journal of Fluorine Chemistry 180 (2015): Pages 181-185.
[2] Megan Carve, &Donald Wlodkowic. “3D-Printed Chips: Compatibility of Additive Manufacturing Photopolymeric Substrata with Biological Applications.” Micromachines 9 2 (2018).

Properties of Bis(4-tert-butylphenyl)iodonium perfluoro-1-butanesulfonate

Melting point:	175-177 °C (lit.)
solubility	PGMEA: ~40%
EPA Substance Registry System	Bis(4-tert-butylphenyl)iodanium nonafluorobutane-1-sulfonate (194999-85-4)

Safety information for Bis(4-tert-butylphenyl)iodonium perfluoro-1-butanesulfonate

Signal word	Warning
Pictogram(s)	Exclamation Mark Irritant GHS07
GHS Hazard Statements	H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes	P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P271:Use only outdoors or in a well-ventilated area. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

Computed Descriptors for Bis(4-tert-butylphenyl)iodonium perfluoro-1-butanesulfonate

InChIKey	DJBAOXYQCAKLPH-UHFFFAOYSA-M
SMILES	C(C(F)(F)C(F)(F)F)(F)(F)C(F)(F)S([O-])(=O)=O.C1(C(C)(C)C)=CC=C([I+]C2=CC=C(C(C)(C)C)C=C2)C=C1

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