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Home > Encyclopedia > S-(Trifluoromethyl)dibenzothiophenium trifluoromethanesulfonate

S-(Trifluoromethyl)dibenzothiophenium trifluoromethanesulfonate

S-(Trifluoromethyl)dibenzothiophenium trifluoromethanesulfonate structure

S-(Trifluoromethyl)dibenzothiophenium trifluoromethanesulfonate 

structure
  • CAS No:

    129946-88-9

  • Formula:

    C14H8F6O3S2

  • Chemical Name:

    S-(Trifluoromethyl)dibenzothiophenium trifluoromethanesulfonate

  • Synonyms:

    S-(TRIFLUOROMETHYL)DIBENZOTHIOPHENIUM TRIFLATE;S-(TRIFLUOROMETHYL)DIBENZOTHIOPHENIUM TRIFLUOROMETHANESULFONATE;S-(TRIFLUOROMETHYL)DIBENZOTHIOPHENIUM TRIFLUOROMETHANESULPHONATE;5-(TRIFLUOROMETHYL)DIBENZOTHIOPHENIUM TRIFLUOROMETHANESULFONATE;5-(TRIFLUOROMETHYL)DIBENZOTHIOPHENIUM TR;5-(TRIFLUOROMETHYL)DIBENZOTHIOPHENIUMTETRAFLUOROMETHANESULFONATE;5-(Trifluoromethyl)dibenzothiophenium trifluoromethanesulfonate,96%;5-(TrifluoroMethyl)-5H-dibenzo[b,d]thiophen-5-iuM trifluoroMethanesulfonate

  • Categories:

    Pharmaceutical Intermediates  >  Heterocyclic Compound

Description

S-(Trifluoromethyl)dibenzothiophenium trifluoromethanesulfonate is white to pale brown crystalline powder

S-(Trifluoromethyl)dibenzothiophenium trifluoromethanesulfonate Basic Attributes

402.33

401.981903

DTXSID10380542

29349990

Characteristics

66.6

White to tan Crystalline Powder

7 g/cm3

155 °C

Safety Information

NONH for all modes of transport

3

36/37/38

26-36/37/39-36

Xi

Irritant

P261-P305 + P351 + P338

H315-H319-H335

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 40 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

S-(Trifluoromethyl)dibenzothiophenium trifluoromethanesulfonate Use and Manufacturing

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.

Computed Properties

Molecular Weight:402.3
Hydrogen Bond Acceptor Count:9
Exact Mass:401.98190543
Monoisotopic Mass:401.98190543
Topological Polar Surface Area:66.6
Heavy Atom Count:25
Complexity:412
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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