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4-(Trifluoromethyl)benzenesulfonyl chloride

ALDRICH/565849 - 97%

Synonym: 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

CAS Number: 2991-42-6
Empirical Formula (Hill Notation): C7H4ClF3O2S
Molecular Weight: 244.62
MDL Number: MFCD00042422
Linear Formula: CF3C6H4SO2Cl
Product Type: Chemical
Catalog Number PKG Qty. Price Quantity
45-565849-1G 1 g
 $0.00
1/EA
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45-565849-5G 5 g
 $113.00
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This picture is provided solely for illustration purposes. Optical properties of the actual product may deviate. Relevant product information is printed on labeled products and other accompanying or available information material. This image depicts SKU: 565849-5G

 

assay 97%
InChI 1S/C7H4ClF3O2S/c8-14(12,13)6-3-1-5(2-4-6)7(9,10)11/h1-4H
InChI key OZDCZHDOIBUGAJ-UHFFFAOYSA-N
mp 30-34 °C (lit.)
SMILES string FC(F)(F)c1ccc(cc1)S(Cl)(=O)=O
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.
Caution: Low Melting Solid
Packaging: 1, 5 g in glass bottle
Symbol GHS05  GHS05
Signal word Danger
Hazard statements H314
Precautionary statements P280 - P305 + P351 + P338 - P310
Hazard Codes C
Risk Statements 14-34
Safety Statements 22-26-36/37/39-45
RIDADR UN 3261 8 / PGII
WGK Germany WGK 3
Flash Point(F) > 230.0 °F
Flash Point(C) > 110 °C
Supplemental Hazard Statements EUH014
Purity 97%
mp 30-34 °C (lit.)
UNSPSC 12352100

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