AG003E66

85100-77-2 | 3-Butyl-1-methyl-1H-imidazol-3-ium bromide

AG003E66

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CAS Number	85100-77-2
Catalog Number	AG003E66(AGN-PC-09OG5W)
Chemical Name	3-Butyl-1-methyl-1H-imidazol-3-ium bromide
IUPAC Name	1-butyl-3-methylimidazol-3-ium;bromide
InChI	InChI=1S/C8H15N2.BrH/c1-3-4-5-10-7-6-9(2)8-10;/h6-8H,3-5H2,1-2H3;1H/q+1;/p-1
InChI Key	KYCQOKLOSUBEJK-UHFFFAOYSA-M
MDL Number	MFCD03427611
Molecular Formula	C8H15BrN2
Molecular Weight	219.1221
SMILES	CN1C=C[N+](CCCC)=C1.[Br-]
Synonyms	(bmim)Br, (bmim)Cl, 1-butyl-3-methylimidazolium bromide, 1-butyl-3-methylimidazolium chloride, 1-butyl-3-methylimidazolium methylsulfate, 1-n-butyl-3-methylimidazolium chloride, 1H-imidazolium, 3-butyl-1-methyl-, chloride (1:1), 3-butyl-1-methylimidazolium chloride, BmimCl, butylmethylimidazolium chloride, 1-Butyl-3-methylimidazolium bromide, 85100-77-2, 3-Butyl-1-methyl-1H-imidazol-3-ium bromide, BMIMBr, 1- n -Butyl-3-methylimidazolium Bromide, MFCD03427611, 1-n-butyl-3-methylimidazolium bromide, 1-butyl-3-methyl-1H-imidazol-3-ium bromide, [bmim]br, AC1MC0O2, C8H15BrN2, KSC491C7D, SCHEMBL193080, ACMC-209q46, CHEMBL3260220, CTK3J1171, KS-00000DFY, KYCQOKLOSUBEJK-UHFFFAOYSA-M, 1-Butyl-3-methylimidazoliumBromide, ANW-38116, AKOS015833020, AKOS015901577, CS-W014770, RL05267, RTR-026621, TRA0006461, 1-butyl-3-methylimidazol-3-ium bromide, AK161826, AS-17520, BC677807, SY023275, AB1010969, TR-026621, FT-0696509, ST24041990, V0558, MFCD03427611 (97+%), Q-102678, I14-14321, 1-Butyl-3-methylimidazolium bromide, >97.0% (HPLC), 1-Butyl-3-methylimidazolium bromide, dry, >=98.5% (HPLC), 3-butyl-1-methyl-imidazole Bromide, CID2734236, B2193, 1-Butyl-3-methylimidazolium bromide, 99% - 1G 1g,

Complexity	93.3
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	218.042g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	219.126g/mol
Monoisotopic Mass	218.042g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	8.8A^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	P280a-P305+P351+P338-P321-P332+P313-P337+P313-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
UN Code

Certificate of Analysis

Lot Number