1-Butyl-2,3-dimethylimidazolium hexafluorophosphate

C₉H₁₇F₆N₂PCAS 227617-70-1298.21 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₁₇F₆N₂P
Molar mass: 298.21 g/mol
Exact mass: 298.1034 Da
logP: 4.80Crippen estimate
Polar surface area: 8.8 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 3

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.8% of notifiers

Aggregated from 45 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

227617-70-1

SMILES

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

InChIKey

JWFPQAXAGSAKRF-UHFFFAOYSA-N

InChI

InChI=1S/C9H17N2.F6P/c1-4-5-6-11-8-7-10(3)9(11)2;1-7(2,3,4,5)6/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 hexafluorophosphate

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 tetrafluoroborate402846-78-0Salt 1-Butyl-2,3-dimethylimidazolium chloride98892-75-2Salt

Similar compounds

1-Ethyl-2,3-dimethylimidazolium hexafluorophosphate292140-86-468 % similar 1-Hexyl-2,3-dimethylimidazolium bromide411222-01-068 % similar 1-Hexyl-2,3-dimethylimidazolium chloride455270-59-468 % similar 1-Hexyl-2,3-dimethylimidazolium tetrafluoroborate384347-21-167 % 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 tetrafluoroborate307492-75-749 % similar 1-Ethyl-2,3-dimethylimidazolium bromide98892-76-349 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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