Organofluorine / Alfa Chemistry
2-(3-bromophenyl)-1-trifluoromethyl-benzo[b]thiophenium triflate

2-(3-bromophenyl)-1-trifluoromethyl-benzo[b]thiophenium triflate

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2-(3-bromophenyl)-1-trifluoromethyl-benzo[b]thiophenium triflate
Catalog OFC1214756383
CAS 1214756-38-3
Category Trifluoromethylation Agents
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Other Identifiers Chemical Data Computational Chemistry
InChI InChI=1S/C15H9BrF3S.CHF3O3S/c16-12-6-3-5-10(8-12)14-9-11-4-1-2-7-13(11)20(14)15(17,18)19;2-1(3,4)8(5,6)7/h1-9H;(H,5,6,7)/q+1;/p-1
InChI Key ZSPNDXXIDRNVFS-UHFFFAOYSA-M
Canonical SMILES FC(F)(F)[s+]1c(-c2cccc(Br)c2)cc2ccccc21.O=S(=O)([O-])C(F)(F)F
Molecular Formula C16H9BrF6O3S2
Molecular Weight 507.271
Melting Point 141-142 °C
Exact Mass 505.9081

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