AG003E6H

174899-66-2 | 1-Butyl-3-methylimidazolium trifluoromethanesulfonate

AG003E6H

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CAS Number	174899-66-2
Catalog Number	AG003E6H(AGN-PC-0QANIM)
Chemical Name	1-Butyl-3-methylimidazolium trifluoromethanesulfonate
IUPAC Name	1-butyl-3-methylimidazol-3-ium;trifluoromethanesulfonate
InChI	InChI=1S/C8H15N2.CHF3O3S/c1-3-4-5-10-7-6-9(2)8-10;2-1(3,4)8(5,6)7/h6-8H,3-5H2,1-2H3;(H,5,6,7)/q+1;/p-1
InChI Key	FRZPYEHDSAQGAS-UHFFFAOYSA-M
MDL Number	MFCD03427620
Molecular Formula	C9H15F3N2O3S
Molecular Weight	288.2872
NSC Number	746783
SMILES	C[N+]1=CN(CCCC)C=C1.O=S(C(F)(F)F)([O-])=O
Synonyms	(bmim)OTf, 1-butyl-3-methylimidazolium trifluoromethanesulfonate, 174899-66-2, 1-Butyl-3-methylimidazolium trifluoromethanesulfonate, 1-Butyl-3-methylimidazolium trifluoromethansulfonate, 1-butyl-3-methylimidazolium triflate, MFCD03427620, Q-102679, BMIM Otf, ACMC-1BWLN, Basionics® VS 12, AC1MC0OW, DSSTox_CID_29088, DSSTox_RID_83307, DSSTox_GSID_49232, KSC173G3F, SCHEMBL192398, CHEMBL3183478, DTXSID0049232, CTK0H3332, FRZPYEHDSAQGAS-UHFFFAOYSA-M, KS-00000W3Y, Tox21_202619, ANW-22735, NSC746783, AKOS015904066, 1-n-Butyl-3-methylimidazolium triflate, NSC-746783, RTR-007782, TRA0065298, NCGC00260167-01, AK176200, SC-66054, TR-007782, B2337, CAS-174899-66-2, FT-0608143, 1-Butyl-3-methylimidazolium trifluoromethansulfona, 1-Butyl-3-methylimidazoliumtrifluoromethansulfonate, I14-18443, 1-butyl-3-methylimidazol-3-ium; trifluoromethanesulfonate, 1-Butyl-3-methylimidazolium trifluoromethanesulfonate, 97%, 1-butyl-3-methyl-1H-imidazol-3-ium trifluoromethanesulfonate, 1-Butyl-3-methylimidazolium trifluoromethanesulfonate, >=95.0% (H-NMR), CID2734246, IUPAC: 3-butyl-1-methyl-imidazole; Trifluoromethanesulfonate, 1-Butyl-3-methylimidazolium trifluoromethanesulfonate, 99% - 100G 100g,

Complexity	238
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	288.076g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	288.285g/mol
Monoisotopic Mass	288.076g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	74.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301-H315-H319
Packing Group	Ⅲ
Precautionary statements	P301+P310-P305+P351+P338
UN Code	UN 2810

Certificate of Analysis

Lot Number