2,4,6-Trimethylpyrylium fluoborate

C₈H₁₁BF₄OCAS 773-01-3209.98 g/mol

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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 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

Danger

H314 Causes severe skin burns and eye damage90.9% of notifiers

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

Weigh it out

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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

2,4,6-Trimethylpyrylium tetrafluoroborateproduct

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

Similar compounds

1-Fluoro-2,4,6-trimethylpyridinium tetrafluoroborate109705-14-847 % similar Mesitylene108-67-836 % similar 3,5-Difluorotoluene117358-51-733 % similar Mesitol527-60-631 % similar 2,6-Dichloro-4-methylphenol2432-12-430 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook