1-Ethyl-3-methylimidazolium bromide

C6H11BrN2CAS 65039-08-9191.07 g/mol

Open in Covalent MOL file
NN+Br−

Properties

Molecular formula
C6H11BrN2
Molar mass
191.07 g/mol
Exact mass
190.0106 Da
Melting point
76.9 °C
logP
-2.66Crippen estimate
Polar surface area
8.8 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
65039-08-9
SMILES
CCn1cc[n+](C)c1.[Br-]
InChIKey
GWQYPLXGJIXMMV-UHFFFAOYSA-M
InChI
InChI=1S/C6H11N2.BrH/c1-3-8-5-4-7(2)6-8;/h4-6H,3H2,1-2H3;1H/q+1;/p-1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

9 names
  • 1H-Imidazolium, 3-ethyl-1-methyl-, bromide (1:1)
  • 1H-Imidazolium, 1-ethyl-3-methyl-, bromide
  • 1-Methyl-3-ethylimidazolium bromide
  • 1-Ethyl-3-methyl-1H-imidazolium bromide
  • 3-Ethyl-1-methyl-3H-imidazol-1-ium bromide
  • 3-Ethyl-1-methylimidazolium bromide
  • 1-Ethyl-3-methylmidazolium bromide
  • [C2Mim+][br-]
  • 1-Ethyl-3-methyl-1H-imidazol-3-ium bromide

Work with 1-Ethyl-3-methylimidazolium bromide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

1-Ethyl-3-methylimidazolium chloride65039-09-0Salt 1-Ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide174899-82-2Salt 1-Ethyl-3-methylimidazolium trifluoromethanesulfonate145022-44-2Salt 1-Ethyl-3-methylimidazolium ethylsulfate342573-75-5Salt 1-Ethyl-3-methylimidazolium dicyanamide370865-89-7Salt 1-Methylimidazole ethiodide35935-34-3Salt 1-Ethyl-3-methylimidazolium acetate143314-17-4Salt 1-Ethyl-3-methylimidazolium tetrafluoroborate143314-16-3Salt 1-Ethyl-3-methylimidazolium diethylphosphate848641-69-0Salt 1-Ethyl-3-methylimidazolium hexafluorophosphate155371-19-0Salt 1-Ethyl-3-methylimidazolium nitrate143314-14-1Salt 1-Ethyl-3-methylimidazolium P-toluenesulfonate328090-25-1Salt

Similar compounds

1-Propyl-3-methylimidazolium bromide85100-76-167 % similar 1-Butyl-3-methylimidazolium bromide85100-77-263 % similar 1-Hexadecyl-3-methylimidazolium bromide132361-22-959 % similar 1-Decyl-3-methylimidazolium bromide188589-32-459 % similar 1-Tetradecyl-3-methylimidazolium bromide471907-87-659 % similar 1-Methyl-3-N-octylimidazolium bromide61545-99-159 % similar 1-Hexyl-3-methylimidazolium bromide85100-78-359 % similar 1-Allyl-3-methylimidazolium bromide31410-07-858 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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