483877

5-(Trifluoromethyl)dibenzothiophenium trifluoromethanesulfonate

97%

• Synonym(s): S-(Trifluoromethyl)dibenzothiophenium triflate, S-(Trifluoromethyl)dibenzothiophenium trifluoromethanesulfonate
• Empirical Formula (Hill Notation): C₁₄H₈F₆O₃S₂
• CAS Number: 129946-88-9
• Molecular Weight: 402.33
• NACRES: NA.22
• PubChem Substance ID: 24871923
• UNSPSC Code: 12352101
• MDL number: MFCD00236132
• Assay: 97%

Properties

• Quality Segment: 100
• assay: 97%
• reaction suitability: reaction type: Halogenations
• mp: 150 °C (lit.)
• functional group: fluoro, triflate
• SMILES string: [O-]S(=O)(=O)C(F)(F)F.FC(F)(F)[S+]1c2ccccc2-c3ccccc13
• InChI: 1S/C13H8F3S.CHF3O3S/c14-13(15,16)17-11-7-3-1-5-9(11)10-6-2-4-8-12(10)17;2-1(3,4)8(5,6)7/h1-8H;(H,5,6,7)/q+1;/p-1
• InChI key: QXXHXTRTGZBOGD-UHFFFAOYSA-M

Description

Application

• Pd(II)-catalyzed trifluoromethylation
• Electrophilic trifluoromethylation in ionic liquids
• Used in the stereoselective preparation of trifluoromethylalkynes by trifluoromethylation of terminal alkynes using Umemoto′s reagent and a copper catalyst

Safety Information

• Pictograms: GHS07
• Signal Word: Warning
• Hazard Codes: H315,H319,H335
• Precautionary Statements: P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• Target Organs: Respiratory system
• Storage Class: 11 - Combustible Solids
• WGK: WGK 3
• Flash Point (°F): Not applicable
• Flash Point (°C): Not applicable
• PPE (personal protective equipment): dust mask type N95 (US), Eyeshields, Gloves