1,3-Diisopropylimidazolium tetrafluoroborate

C₉H₁₇BF₄N₂CAS 286014-34-4240.05 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₁₇BF₄N₂
Molar mass: 240.05 g/mol
Exact mass: 240.1421 Da
logP: 3.24Crippen estimate
Polar surface area: 8.8 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation97.5% of notifiers
H319 Causes serious eye irritation97.5% of notifiers
H335 May cause respiratory irritation97.5% of notifiers

Aggregated from 40 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

286014-34-4

SMILES

[B-](F)(F)(F)F.CC(C)N1C=C[N+](=C1)C(C)C

InChIKey

PSKQPXYUPOKHPY-UHFFFAOYSA-N

InChI

InChI=1S/C9H17N2.BF4/c1-8(2)10-5-6-11(7-10)9(3)4;2-1(3,4)5/h5-9H,1-4H3;/q+1;-1

Weigh it out

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

Work with 1,3-Diisopropylimidazolium 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.

1,3-Diisopropylimidazolium chloride139143-09-2Salt

Similar compounds

1,3-Dicyclohexyl-imidazolium tetrafluoroborate286014-38-844 % similar 1-Ethyl-3-methylimidazolium tetrafluoroborate143314-16-332 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Butyl-2,3-dimethylimidazolium tetrafluoroborate402846-78-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook