1-Butyl-2,3-dimethylimidazolium tetrafluoroborate

C₉H₁₇BF₄N₂CAS 402846-78-0240.05 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₁₇BF₄N₂
Molar mass: 240.05 g/mol
Exact mass: 240.1421 Da
logP: 2.72Crippen estimate
Polar surface area: 8.8 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 3

Hazards

Danger

H302 Harmful if swallowed50% of notifiers
H314 Causes severe skin burns and eye damage50% of notifiers
H318 Causes serious eye damage50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, P501

Identifiers

CAS number

402846-78-0

SMILES

[B-](F)(F)(F)F.CCCCN1C=C[N+](=C1C)C

InChIKey

VCAIYEJBOWHUGP-UHFFFAOYSA-N

InChI

InChI=1S/C9H17N2.BF4/c1-4-5-6-11-8-7-10(3)9(11)2;2-1(3,4)5/h7-8H,4-6H2,1-3H3;/q+1;-1

Weigh it out

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

Work with 1-Butyl-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-Butyl-2,3-dimethylimidazolium bis(trifluoromethylsulfonyl)imide350493-08-2Salt 1-Butyl-2,3-dimethylimidazolium bromide475575-45-2Salt 1-Butyl-2,3-dimethylimidazolium hexafluorophosphate227617-70-1Salt 1-Butyl-2,3-dimethylimidazolium chloride98892-75-2Salt

Similar compounds

1-Hexyl-2,3-dimethylimidazolium tetrafluoroborate384347-21-189 % similar 1-Ethyl-2,3-dimethylimidazolium tetrafluoroborate307492-75-768 % similar 1-Hexyl-2,3-dimethylimidazolium bromide411222-01-068 % similar 1-Hexyl-2,3-dimethylimidazolium chloride455270-59-468 % similar 1,2-Dimethyl-3-propylimidazolium iodide218151-78-162 % similar 1,2-Dimethyl-3-propylimidazolium bis(trifluoromethylsulfonyl)imide169051-76-750 % similar 1-Ethyl-2,3-dimethylimidazolium hexafluorophosphate292140-86-449 % similar 1-Ethyl-2,3-dimethylimidazolium bromide98892-76-349 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,3-Diisopropylimidazolium tetrafluoroborate286014-34-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook