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17763-67-6

17763-67-6 Structure

17763-67-6 Structure
IdentificationBack Directory
[Name]

PHENYL TRIFLUOROMETHANESULFONATE
[CAS]

17763-67-6
[Synonyms]

PHENYL TRIFLATE
Phenol triflate
Phenol trifluoromethanesulfonate
PHENYL TRIFLUOROMETHANESULFONATE
Trifluoromethylsulfonyloxybenzene
PhenylTrifluoromethanesulfonate>
Phenyl trifluoromethanesulfonate 98%
Trifluoromethanesulfonic acid phenyl ester
Methanesulfonic acid, 1,1,1-trifluoro-, phenyl ester
Trifluoromethanesulfonic Acid Phenyl Ester Phenyl Triflate
[Molecular Formula]

C7H5F3O3S
[MDL Number]

MFCD00192399
[MOL File]

17763-67-6.mol
[Molecular Weight]

226.17
Chemical PropertiesBack Directory
[Boiling point ]

99-100 °C60 mm Hg(lit.)
[density ]

1.396 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.435(lit.)
[Fp ]

160 °F
[storage temp. ]

Inert atmosphere,Room Temperature
[form ]

clear liquid
[color ]

Colorless to Almost colorless
[InChI]

InChI=1S/C7H5F3O3S/c8-7(9,10)14(11,12)13-6-4-2-1-3-5-6/h1-5H
[InChIKey]

GRJHONXDTNBDTC-UHFFFAOYSA-N
[SMILES]

C(F)(F)(F)S(OC1=CC=CC=C1)(=O)=O
Safety DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)Skull and Crossbones (GHS06)
GHS05,GHS06
[Signal word ]

Danger
[Hazard statements ]

H301+H311-H314
[Precautionary statements ]

P270-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P361+P364
[Hazard Codes ]

T
[Risk Statements ]

36/37/38-34-24/25
[Safety Statements ]

26-36-45-36/37/39
[RIDADR ]

UN 2927 6.1/PG 2
[WGK Germany ]

3
[HazardClass ]

6.1, 8
[HS Code ]

29049090
[Storage Class]

6.1A - Combustible acute toxic Cat. 1 and 2
very toxic hazardous materials
[Hazard Classifications]

Acute Tox. 3 Oral
Skin Corr. 1B
Hazard InformationBack Directory
[Chemical Properties]

Colorless Liquid.
[Uses]

Phenyl trifluoromethanesulfonate (phenyl triflate) may be used in the following studies:
As an arylating agent for the asymmetric α-arylation of ketones catalyzed by Pd(dba)2 and difluorphos.
As a reactant in the one pot synthesis of carbazoles by palladium-catalyzed N-arylation of anilines with phenyl triflate followed by oxidative coupling.
Synthesis of N-(2,6-diarylbenzoyl)anilines by diarylation of benzanilides with phenyl triflate in the presence of palladium-based catalyst.
As an arylating agent in the synthesis of (R)-2-phenyl-2,3-dihydrofuran by the arylation of 2,3-dihydrofuran.
[Preparation]

Synthesis of Phenyl trifluoromethanesulfonate: The reaction of phenol (1.00 g, 10.6 mmol) with triflic anhydride as outlined in the general procedure provided phenyl trifluoromethanesulfonate as colorless oil (0.73 g, 30%).
1H NMR (400 MHz, CDCl3) δ 7.50 – 7.42 (m, 2H), 7.41 – 7.36 (m, 1H), 7.32 – 7.24 (m, 2H).
[General Description]

Phenyl trifluoromethanesulfonate (phenyl triflate) is an aryl fluorosulphonate. It has been synthesized by the reaction of phenol with fluorosulphonic anhydride.
Spectrum DetailBack Directory
[Spectrum Detail]

Phenyl trifluoromethanesulfonate(17763-67-6)1HNMR
Phenyl trifluoromethanesulfonate(17763-67-6)IR
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