2,4,6-Trimethylpyrylium fluoborate

C8H11BF4OCAS 773-01-3209.98 g/mol

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O+FB−FFF

Properties

Molecular formula
C8H11BF4O
Molar mass
209.98 g/mol
Exact mass
210.0839 Da
Melting point
223 °C (decomposes)
logP
3.79Crippen estimate
Polar surface area
11.3 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Hazards

Danger
Corrosive (GHS05)

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
773-01-3
SMILES
Cc1cc(C)[o+]c(C)c1.F[B-](F)(F)F
InChIKey
PYOPRIFMELCENN-UHFFFAOYSA-N
InChI
InChI=1S/C8H11O.BF4/c1-6-4-7(2)9-8(3)5-6;2-1(3,4)5/h4-5H,1-3H3;/q+1;-1

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Names and synonyms

6 names
  • Pyrylium, 2,4,6-trimethyl-, tetrafluoroborate(1-) (1:1)
  • Pyrylium, 2,4,6-trimethyl-, tetrafluoroborate(1-)
  • Borate(1-), tetrafluoro-, 2,4,6-trimethylpyrylium
  • 2,4,6-Trimethylpyrylium fluoroborate
  • 2,4,6-Trimethylpyrylium tetrafluoroborate
  • 2,4,6-Trimetylpyrylium tetrafluoroborate

Reactions

Work with 2,4,6-Trimethylpyrylium fluoborate

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.

2,4,6-Trimethylpyrylium perchlorate940-93-2Salt

Similar compounds

1-Fluoro-2,4,6-trimethylpyridinium tetrafluoroborate109705-14-847 % similar Mesitylene108-67-836 % similar 3,5-Difluorotoluene117358-51-733 % similar 5-Fluoro-M-xylene461-97-233 % similar 1-Butyl-4-methylpyridinium tetrafluoroborate343952-33-032 % similar 2,4,6-Triphenylpyrylium tetrafluoroborate448-61-332 % similar 1,3-Bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazolium tetrafluoroborate245679-18-932 % similar Mesityl fluoride392-69-831 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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