1-Ethyl-2,3-dimethylimidazolium tetrafluoroborate

C₇H₁₃BF₄N₂CAS 307492-75-7212.00 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₁₃BF₄N₂
Molar mass: 212.00 g/mol
Exact mass: 212.1108 Da
logP: 1.94Crippen estimate
Polar surface area: 8.8 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 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

307492-75-7

SMILES

[B-](F)(F)(F)F.CCN1C=C[N+](=C1C)C

InChIKey

KNIWGPCMWBGRBE-UHFFFAOYSA-N

InChI

InChI=1S/C7H13N2.BF4/c1-4-9-6-5-8(3)7(9)2;2-1(3,4)5/h5-6H,4H2,1-3H3;/q+1;-1

Weigh it out

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

Work with 1-Ethyl-2,3-dimethylimidazolium tetrafluoroborate

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-2,3-dimethylimidazolium bromide98892-76-3Salt 1-Ethyl-2,3-dimethylimidazolium bis(trifluoromethanesulfonyl)imide174899-90-2Salt 1-Ethyl-2,3-dimethylimidazolium hexafluorophosphate292140-86-4Salt

Similar compounds

1-Butyl-2,3-dimethylimidazolium tetrafluoroborate402846-78-068 % similar 1-Hexyl-2,3-dimethylimidazolium tetrafluoroborate384347-21-165 % similar 1,2-Dimethyl-3-propylimidazolium iodide218151-78-151 % similar 1-Butyl-2,3-dimethylimidazolium hexafluorophosphate227617-70-149 % similar 1-Butyl-2,3-dimethylimidazolium bromide475575-45-249 % similar 1-Hexyl-2,3-dimethylimidazolium bromide411222-01-047 % similar 1-Hexyl-2,3-dimethylimidazolium chloride455270-59-447 % similar 1-Ethyl-3-methylimidazolium tetrafluoroborate143314-16-344 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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