2,4,6-Triphenylpyrylium tetrafluoroborate

C₂₃H₁₇BF₄OCAS 448-61-3396.19 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₂₃H₁₇BF₄O
Molar mass: 396.19 g/mol
Exact mass: 396.1309 Da
Melting point: 225–226 °C
logP: 7.86Crippen estimate
Polar surface area: 11.3 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 3

Hazards

Warning

H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled86.7% of notifiers
H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin88.9% of notifiers
H315 Causes skin irritation97.8% of notifiers
H319 Causes serious eye irritation97.8% of notifiers
H332 Harmful if inhaled88.9% 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

448-61-3

SMILES

F[B-](F)(F)F.c1ccc(-c2cc(-c3ccccc3)[o+]c(-c3ccccc3)c2)cc1

InChIKey

VQYPWMWEJGDSTF-UHFFFAOYSA-N

InChI

InChI=1S/C23H17O.BF4/c1-4-10-18(11-5-1)21-16-22(19-12-6-2-7-13-19)24-23(17-21)20-14-8-3-9-15-20;2-1(3,4)5/h1-17H;/q+1;-1

Weigh it out

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

Names and synonyms

6 names

Pyrylium, 2,4,6-triphenyl-, tetrafluoroborate(1-) (1:1)
Pyrylium, 2,4,6-triphenyl-, tetrafluoroborate(1-)
2,4,6-Triphenylpyrylium fluoborate
Borate(1-), tetrafluoro-, 2,4,6-triphenylpyrylium
2,4,6-Triphenylpyrylium fluoroborate
TPPT

Reactions

2,4,6-TRIPHENYLPYRYLIUM TETRAFLUOROBORATE (Pyrylium tetrafluoroborate, 2,4,6-triphenyl-)product

Work with 2,4,6-Triphenylpyrylium 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

1,3,5-Triphenylbenzene612-71-544 % similar Tritylium tetrafluoroborate341-02-640 % similar Biphenyl92-52-438 % similar M-Terphenyl92-06-837 % similar para-Quaterphenyl135-70-636 % similar Azulene275-51-436 % similar P-Quinquephenyl3073-05-036 % similar 1,1′:4′,1′′:4′′,1′′′:4′′′,1′′′′:4′′′′,1′′′′′-Sexiphenyl4499-83-636 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook