AG003EBU

107264-00-6 | 1-Fluoro-2,4,6-trimethylpyridin-1-ium trifluoromethanesulfonate

AG003EBU

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CAS Number	107264-00-6
Catalog Number	AG003EBU(AGN-PC-0OX1F6)
Chemical Name	1-Fluoro-2,4,6-trimethylpyridin-1-ium trifluoromethanesulfonate
IUPAC Name	1-fluoro-2,4,6-trimethylpyridin-1-ium;trifluoromethanesulfonate
InChI	InChI=1S/C8H11FN.CHF3O3S/c1-6-4-7(2)10(9)8(3)5-6;2-1(3,4)8(5,6)7/h4-5H,1-3H3;(H,5,6,7)/q+1;/p-1
InChI Key	PRIGFEJKMMRJSF-UHFFFAOYSA-M
MDL Number	MFCD00067525
Molecular Formula	C9H11F4NO3S
Molecular Weight	289.2472
SMILES	CC1=[N+](F)C(C)=CC(C)=C1.O=S([O-])(C(F)(F)F)=O
Synonyms	107264-00-6, 1-Fluoro-2,4,6-trimethylpyridinium triflate, 1-Fluoro-2,4,6-trimethylpyridin-1-ium trifluoromethanesulfonate, N-Fluoro-2,4,6-trimethylpyridinium triflate, 1-Fluoro-2,4,6-trimethylpyridinium Trifluoromethanesulfonate, 1-fluoro-2,4,6-trimethylpyridin-1-ium; trifluoromethanesulfonate, 1-fluoro-2,4,6-trimethylpyridine, trifluoromethanesulfonic acid, ACMC-1BPRL, AC1MC57N, SCHEMBL64156, CTK0H7185, KS-00000WVF, DTXSID40369163, PC4377Y, PRIGFEJKMMRJSF-UHFFFAOYSA-M, ZX-AP000808, ANW-42833, MFCD00067525, SBB002990, AKOS024282417, MCULE-6685962940, RTR-001415, DS-12982, ST056184, 1-Fluoro-2,4,6-trimethylpyridiniumtriflate, AB1010746, TR-001415, F0328, FT-0743457, 1-Fluoro-2,4,6-trimethyl-pyridinium triflate, 1-fluoro-2,4,6-trimethylpyridin-1-ium triflate, A801618, C-53729, 1-Fluoro-2,4,6-trimethylpyridinium triflate, 95%, J-001747, I14-92110, 1-fluoro-2,4,6-trimethylpyridin-1-ium;trifluoromethanesulfonate, 1-Fluoro-2,4,6-trimethylpyridinium triflate, technical grade, 85%, 1-fluoranyl-2,4,6-trimethyl-pyridin-1-ium; tris(fluoranyl)methanesulfonate, Pyridinium, 1-fluoro-2,4,6-trimethyl-, 1,1,1-trifluoromethanesulfonate (1:1), CID2724575, IUPAC: 1-fluoro-2,4,6-trimethyl-pyridine; Trifluoromethanesulfonate, 1-Fluoro-2,4,6-trimethylpyridinium trifluoromethanesulfonate, 95% - 1G 1g,

Complexity	249
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	289.04g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	289.245g/mol
Monoisotopic Mass	289.04g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	69.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H314
Packing Group	Ⅱ
Precautionary statements	P280-P305+P351+P338-P310
UN Code	UN 3261

Certificate of Analysis

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