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Merck
CN

565849

4-(Trifluoromethyl)benzenesulfonyl chloride

97%

Synonym(s):

α,α,α-Trifluoro-p-toluenesulfonyl chloride, 4-(Trifluoromethyl)benzene-1-sulfonyl chloride, [4-(Trifluoromethyl)phenyl]sulfonyl chloride, [p-(Trifluoromethyl)phenyl]sulfonyl chloride, p-Trifluoromethylbenzenesulfonyl chloride

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About This Item

Linear Formula:
CF3C6H4SO2Cl
CAS Number:
2991-42-6
Molecular Weight:
244.62
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24880261
MDL number:
MFCD00042422
Beilstein/REAXYS Number:
2113604

Key Documents

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Product Name

4-(Trifluoromethyl)benzenesulfonyl chloride, 97%

InChI

1S/C7H4ClF3O2S/c8-14(12,13)6-3-1-5(2-4-6)7(9,10)11/h1-4H

SMILES string

FC(F)(F)c1ccc(cc1)S(Cl)(=O)=O

InChI key

OZDCZHDOIBUGAJ-UHFFFAOYSA-N

assay

97%

mp

30-34 °C (lit.)

functional group

fluoro

Quality Level

100

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Application

4-(Trifluoromethyl)benzenesulfonyl chloride may be used to synthesize β-arylated thiophenes and 2,5-diarylated pyrrolevia palladium catalyzed desulfitative arylation of thiophenes and pyrroles, respectively.
4-(Trifluoromethyl)benzenesulfonyl chloride and N-vinylpyrrolidinone in acetonitrile can undergo photo-irradiation with visible light in the presence of Ir(ppy)2(dtbbpy)PF6 ([4,4′-bis(1,1-dimethylethyl)-2,2′-bipyridine-N1,N1′]bis[2-(2-pyridinyl-N)phenyl-C]iridium(III)hexafluorophosphate) and disodium phosphate to give the corresponding E-vinyl sulfone.

Disclaimer

Low Melting Solid

pictograms

Corrosion
GHS05

signalword

Danger

hcodes

H314

Hazard Classifications

Skin Corr. 1B

supp_hazards

EUH014

Storage Class

8A - Combustible corrosive hazardous materials

wgk

WGK 3

flash_point_f

>230.0 °F

flash_point_c

> 110 °C

ppe

Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter

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Certificates of Analysis (COA)

Lot/Batch Number
MKCW9168
MKCQ0881
MKCG6476
MKBW7332V
MKBS4047V

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"C-H Functionalization of Enamides: Synthesis of ?-Amidovinyl Sulfones via Visible-Light Photoredox Catalysis"
Jiang H, et al.
Advanced Synthesis & Catalysis, 355(4), 809-813 (2013)
"Benzenesulfonyl chlorides: new reagents for access to alternative regioisomers in palladium-catalysed direct arylations of thiophenes"
Yuan K, et al.
Chemical Science, 5(1), 392-396 (2014)
Palladium-Catalysed Direct Desulfitative Arylation of Pyrroles using Benzenesulfonyl Chlorides as Alternative Coupling Partners.
Jin R, et al.
Advanced Synthesis & Catalysis, 356(18), 3831-3841 (2014)

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