AG00IMGS

1961266-44-3 | 2,8-DIFLUORO-5-(TRIFLUOROMETHYL)-5H-DIBENZO[B,D]THIOPHEN-5-IUM TRIFLUOROMETHANESULFONATE

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CAS Number	1961266-44-3
Catalog Number	AG00IMGS(AGN-PC-0WQUMJ)
Chemical Name	2,8-DIFLUORO-5-(TRIFLUOROMETHYL)-5H-DIBENZO[B,D]THIOPHEN-5-IUM TRIFLUOROMETHANESULFONATE
IUPAC Name	2,8-difluoro-5-(trifluoromethyl)dibenzothiophen-5-ium;trifluoromethanesulfonate
InChI	InChI=1S/C13H6F5S.CHF3O3S/c14-7-1-3-11-9(5-7)10-6-8(15)2-4-12(10)19(11)13(16,17)18;2-1(3,4)8(5,6)7/h1-6H;(H,5,6,7)/q+1;/p-1
InChI Key	WLVWCXRDONBKDB-UHFFFAOYSA-M
MDL Number	MFCD30725753
Molecular Formula	C14H6F8O3S2
Molecular Weight	438.3129
SMILES	FC(S(=O)(=O)[O-])(F)F.FC1=CC2=C([S+](C3=C2C=C(C=C3)F)C(F)(F)F)C=C1
Synonyms	2,8-Difluoro-5-(trifluoromethyl)-5H-dibenzo[b,d]thiophen-5-ium Trifluoromethanesulfonate, 1961266-44-3, Umemoto's Reagent II, D5335, 2,8-Difluoro-5-(trifluoromethyl)-5H-dibenzo[b,d]thiophen-5-ium Triflate,

Complexity	463
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	437.963g/mol
Formal Charge	0
Heavy Atom Count	27
Hydrogen Bond Acceptor Count	11
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	438.306g/mol
Monoisotopic Mass	437.963g/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
Packing Group
Precautionary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
UN Code

Certificate of Analysis

Lot Number