chempirical

Trimethyloxonium tetrafluoroborate

C3H9BF4OCAS 420-37-1147.91 g/mol

Open in Covalent MOL file
O+FB−FFF

Properties

Molecular formula
C3H9BF4O
Molar mass
147.91 g/mol
Exact mass
148.0683 Da
Melting point
124.5 °C (decomposes)
logP
1.73Crippen estimate
Polar surface area
2.7 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
420-37-1
SMILES
C[O+](C)C.F[B-](F)(F)F
InChIKey
CZVZBKHWOFJNCR-UHFFFAOYSA-N
InChI
InChI=1S/C3H9O.BF4/c1-4(2)3;2-1(3,4)5/h1-3H3;/q+1;-1

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Names and synonyms

7 names
  • Oxonium, trimethyl-, tetrafluoroborate(1-) (1:1)
  • Oxonium, trimethyl-, tetrafluoroborate(1-)
  • Trimethyloxonium fluoborate
  • Borate(1-), tetrafluoro-, trimethyloxonium
  • Trimethyloxonium fluoroborate
  • Trimethyloxonium tetrafluoroborate(1-)
  • NSC 528455

Reactions

Work with Trimethyloxonium 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

Similar compounds

Tetrafluoroboric acid16872-11-050 % similar Tetramethylammonium tetrafluoroborate661-36-944 % similar Sodium tetrafluoroborate13755-29-840 % similar Lead tetrafluoroborate (Pb(BF4)2)13814-96-540 % similar Tin tetrafluoroborate13814-97-640 % similar Ammonium tetrafluoroborate13826-83-040 % similar Zinc tetrafluoroborate13826-88-540 % similar Potassium tetrafluoroborate14075-53-740 % similar

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

Elsewhere

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