1-Butylpyridinium tetrafluoroborate

C₉H₁₄BF₄NCAS 203389-28-0223.02 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₁₄BF₄N
Molar mass: 223.02 g/mol
Exact mass: 223.1155 Da
logP: 3.07Crippen estimate
Polar surface area: 3.9 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

203389-28-0

SMILES

[B-](F)(F)(F)F.CCCC[N+]1=CC=CC=C1

InChIKey

XLWDQAHXRCBPEE-UHFFFAOYSA-N

InChI

InChI=1S/C9H14N.BF4/c1-2-3-7-10-8-5-4-6-9-10;2-1(3,4)5/h4-6,8-9H,2-3,7H2,1H3;/q+1;-1

Weigh it out

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

Work with 1-Butylpyridinium 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.

Butylpyridinium chloride1124-64-7Salt 1-Butylpyridinium bis(trifluoromethylsulfonyl)imide187863-42-9Salt 1-Butylpyridinium bromide874-80-6Salt 1-Butylpyridinium hexafluorophosphate186088-50-6Salt

Similar compounds

1-Butyl-4-methylpyridinium tetrafluoroborate343952-33-066 % similar Dodecylpyridinium bromide104-73-458 % similar Dodecylpyridinium chloride104-74-558 % similar Cetylpyridinium chloride123-03-558 % similar Cetylpyridinium bromide140-72-758 % similar Octylpyridinium bromide2534-66-958 % similar Tetradecylpyridinium chloride2785-54-858 % similar Cetylpyridinium chloride monohydrate6004-24-653 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook