AG000TT3

129946-88-9 | Dibenzothiophenium, 5-(trifluoromethyl)-, 1,1,1-trifluoromethanesulfonate (1:1)

AG000TT3

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CAS Number	129946-88-9
Catalog Number	AG000TT3(AGN-PC-0KKYA6)
Chemical Name	Dibenzothiophenium, 5-(trifluoromethyl)-, 1,1,1-trifluoromethanesulfonate (1:1)
IUPAC Name	trifluoromethanesulfonate;5-(trifluoromethyl)dibenzothiophen-5-ium
InChI	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
MDL Number	MFCD00236132
Molecular Formula	C14H8F6O3S2
Molecular Weight	402.3319
SMILES	FC(S(=O)(=O)[O-])(F)F.FC([S+]1C2=C(C3=C1C=CC=C3)C=CC=C2)(F)F
Synonyms	129946-88-9, 5-(Trifluoromethyl)-5H-dibenzo[b,d]thiophen-5-ium trifluoromethanesulfonate, S-(Trifluoromethyl)dibenzothiophenium trifluoromethanesulfonate, 5-(Trifluoromethyl)dibenzothiophenium trifluoromethanesulfonate, S-(Trifluoromethyl)dibenzothiophenium triflate, AK-48841, S-(Trifluoromethyl)dibenzothiophenium trifluoromethanesulphonate, trifluoromethanesulfonate; 5-(trifluoromethyl)dibenzothiophen-5-ium, 5-(Trifluoromethyl)dibenzothiophenium trifluoromethanesulfonate, 96%, QXXHXTRTGZBOGD-UHFFFAOYSA-M, AC1MCRRK, PubChem16425, ACMC-20a6nt, SCHEMBL115549, C13H8F3S.CHF3O3S, CTK0H3916, DTXSID10380542, EBD19099, KS-00000H1G, ZX-AP011330, 5519AA, ANW-59559, MFCD00236132, PC0512, AKOS016003855, CS-W007716, TRA0059013, AN-32397, DS-14835, SC-27967, SY029819, AB0070126, AX8150680, BB0295992, ST2406038, TC-061370, 4CH-016913, AM20020378, FT-0643119, MFCD00236132 (95%), S-(Trifluoromethyl)dibenzothiophenium trifluoromet, J-005727, S-(trifluoromethyl)dibenzothiophenium trifluoromethane sulfonate, S-(Trifluoromethyl)dibenzothiophenium trifluoromethane-sulfonate, 5-(trifluoromethyl)dibenzo[b,d]thiophenium trifluoromethanesulfonate, 5-(Trifluoromethyl)dibenzothiophenium trifluoromethanesulfonate, 97%, S-(TRIFLUOROMETHYL)DIBENZOTHIOPHENIUMTRIFLUOROMETHANESULFONATE, trifluoromethanesulfonate 5-(trifluoromethyl)dibenzothiophen-5-ium, trifluoromethanesulfonate;5-(trifluoromethyl)dibenzothiophen-5-ium, 5-(trifluoromethyl)-5H-dibenzo[b,d]thiophenium trifluoromethanesulfonate, 5-(Trifluoromethyl)dibenzo[b,d]thiophen-5-ium trifluoromethanesulfonate, Dibenzothiophenium, 5-(trifluoromethyl)-, 1,1,1-trifluoromethanesulfonate (1:1), 8-(trifluoromethyl)-8-thiatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaen-8-ium triflate, CID2777507, 4-Iodo-2,5-dimethoxyphenethylamine hydrochloride salt, IUPAC: Trifluoromethanesulfonate; 5-(trifluoromethyl)dibenzothiophene, 5-(Trifluoromethyl)-5H-dibenzo[b,d]thiophen-5-ium trifluoromethanesulfote, 5-(Trifluoromethyl)dibenzothiophenium trifluoromethanesulfonate, 97% 1g, 5-(Trifluoromethyl)dibenzothiophenium trifluoromethanesulfonate, 97% - 1G 1g, 64584-32-3,

Complexity	412
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	401.982g/mol
Formal Charge	0
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	402.325g/mol
Monoisotopic Mass	401.982g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	66.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number