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| CAS No.: | 129946-88-9 |
|---|---|
| Name: | S-(Trifluoromethyl)dibenzothiophenium trifluoromethanesulfonate |
| Article Data: | 6 |
| Molecular Structure: | |
|
|
|
| Formula: | C13H8F3S.CF3O3S |
| Molecular Weight: | 402.338 |
| 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 |
| Density: | 7 g/cm3 |
| Melting Point: | 155 °C |
| Appearance: | White to pale brown crystalline powder |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39-36 |
| PSA: | 90.88000 |
| LogP: | 5.35530 |
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Chemistry
Molecular Structure of S-(Trifluoromethyl)dibenzothiophenium trifluoromethanesulfonate (CAS NO.129946-88-9):
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Systematic Name: 1-(Trifluoromethyl)dibenzo[b,d]thiophenium trifluoromethanesulfonate
Molecular Formula: C13H8F3S.CF3O3S
Molecular Weight: 402.33
Melting Point: 155 °C
Density: 7 g/cm3
Appearance: White to pale brown crystalline powder
SMILES: FC(F)(F)S([O-])(=O)=O.FC(F)(F)c2cccc3[s+]c1ccccc1c23
InChI: InChI=1/C13H7F3S.CHF3O3S/c14-13(15,16)9-5-3-7-11-12(9)8-4-1-2-6-10(8)17-11;2-1(3,4)8(5,6)7/h1-7H;(H,5,6,7)
InChIKey: JPFRZOQKRGLTAC-UHFFFAOYAB
Product Categories: API intermediates; Benzothiophenes; Building Blocks; Heterocyclic Building Blocks
Safety Profile
Safety Information of S-(Trifluoromethyl)dibenzothiophenium trifluoromethanesulfonate (CAS NO.129946-88-9):
Hazard Codes: 
Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37/39-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S36:Wear suitable protective clothing.
Hazard Note: Irritant
Specification
S-(Trifluoromethyl)dibenzothiophenium trifluoromethanesulfonate (CAS NO.129946-88-9), its Synonyms are S-(Trifluoromethyl)dibenzothiophenium triflate ; S-(Trifluoromethyl)dibenzothiophenium trifluoromethanesulphonate ; 5-(Trifluoromethyl)dibenzothiophenium trifluoromethanesulfonate ; 5-(Trifluoromethyl)dibenzothiophenium TR .