chempirical

Cycloheptatrienylium tetrafluoroborate

C7H7BF4CAS 27081-10-3177.94 g/mol

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Properties

Molecular formula
C7H7BF4
Molar mass
177.94 g/mol
Exact mass
178.0577 Da
Melting point
242 °C (decomposes)
logP
3.27Crippen estimate
Polar surface area
0.0 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
27081-10-3
SMILES
[B-](F)(F)(F)F.C1=CC=C[CH+]C=C1
InChIKey
SQVQHTIKOZVGLR-UHFFFAOYSA-N
InChI
InChI=1S/C7H7.BF4/c1-2-4-6-7-5-3-1;2-1(3,4)5/h1-7H;/q+1;-1

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Names and synonyms

9 names
  • Cycloheptatrienylium, tetrafluoroborate(1-) (1:1)
  • Cycloheptatrienylium, tetrafluoroborate(1-)
  • Cycloheptatrienocarbonium fluoborate
  • Borate(1-), tetrafluoro-, cycloheptatrienylium
  • Tropylium fluoroborate
  • Tropylium tetrafluoroborate
  • Tropylium tetrafluoroborate(1-)
  • Cycloheptatrienyl tetrafluoroborate
  • 2,4,6-Cycloheptatrienium, tetrafluoroborate(1-) (1:1)

Reactions

Work with Cycloheptatrienylium 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 acid16872-11-040 % similar N-Fluoropyridinium tetrafluoroborate107264-09-539 % similar Bis(pyridine)iodonium tetrafluoroborate15656-28-738 % similar Tritylium tetrafluoroborate341-02-638 % similar Nitrosonium tetrafluoroborate14635-75-735 % similar Sodium tetrafluoroborate13755-29-833 % similar Lead tetrafluoroborate (Pb(BF4)2)13814-96-533 % similar Tin tetrafluoroborate13814-97-633 % similar

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

Elsewhere

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