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| CAS No.: | 131880-16-5 |
|---|---|
| Name: | S-(Trifluoromethyl)dibenzothiophenium tetrafluoroborate |
| Molecular Structure: | |
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| Formula: | C13H8BF7S |
| Molecular Weight: | 340.07 |
| Synonyms: | 5-(trifluoromethyl)dibenzo[b,d]thiophenium tetrafluoroborate;5-(trifluoromethyl)dibenzothiophene;5-(Trifluoromethyl) dibenzothiophenium tetrafluoro borate; |
| Melting Point: | 171-172 °C |
| Hazard Symbols: | Xi |
| Risk Codes: | Xi:; ">  Xi:; |
| Safety: | 24/25 |
| PSA: | 25.30000 |
| LogP: | 5.52310 |
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Specification
The S-(Trifluoromethyl)dibenzothiophenium tetrafluoroborate, with the CAS registry number 131880-16-5, has the systematic name of 5-(trifluoromethyl)dibenzo[b,d]thiophenium tetrafluoroborate. It is a kind of irritant chemcial, and belongs to the following product categories: API intermediates; Benzothiophenes; Building Blocks; Heterocyclic Building Blocks. And the molecular formula of the chemical is C13H8BF7S.
The characteristics of S-(Trifluoromethyl)dibenzothiophenium tetrafluoroborate are as followings: (1)#H bond acceptors: 0; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 0; (4)Polar Surface Area: 0 Å2.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: F[B-](F)(F)F.FC(F)(F)[s+]3c1ccccc1c2ccccc23
(2)InChI: InChI=1/C13H8F3S.BF4/c14-13(15,16)17-11-7-3-1-5-9(11)10-6-2-4-8-12(10)17;2-1(3,4)5/h1-8H;/q+1;-1
(3)InChIKey: VTVISWLINKWMQZ-UHFFFAOYAZ