Cyclopropyldiphenylsulfonium tetrafluoroborate

C₁₅H₁₅BF₄SCAS 33462-81-6314.15 g/mol

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Properties

Molecular formula: C₁₅H₁₅BF₄S
Molar mass: 314.15 g/mol
Exact mass: 314.0924 Da
Melting point: 139 °C
logP: 5.19Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 3

Hazards

Warning

H315 Causes skin irritation97.6% of notifiers
H319 Causes serious eye irritation97.6% of notifiers
H335 May cause respiratory irritation97.6% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

33462-81-6

SMILES

F[B-](F)(F)F.c1ccc([S+](c2ccccc2)C2CC2)cc1

InChIKey

DWEYKSWKFYZEGZ-UHFFFAOYSA-N

InChI

InChI=1S/C15H15S.BF4/c1-3-7-13(8-4-1)16(15-11-12-15)14-9-5-2-6-10-14;2-1(3,4)5/h1-10,15H,11-12H2;/q+1;-1

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Names and synonyms

5 names

Sulfonium, cyclopropyldiphenyl-, tetrafluoroborate(1-) (1:1)
Sulfonium, cyclopropyldiphenyl-, tetrafluoroborate(1-)
Borate(1-), tetrafluoro-, cyclopropyldiphenylsulfonium
Cyclopropyldiphenylsulfonium fluoborate
Diphenylcyclopropylsulfonium tetrafluoroborate

Reactions

CYCLOPROPYLDIPHENYLSULFONIUM TETRAFLUOROBORATE (Sulfonium, cyclopropyldiphenyl tetrafluoroborate(1-))product

Work with Cyclopropyldiphenylsulfonium 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

(3-Chloropropyl)diphenylsulfonium tetrafluoroborate33462-80-544 % similar Tritylium tetrafluoroborate341-02-640 % similar Benzyltriethylammonium tetrafluoroborate77794-93-535 % similar Dimethylphenacylsulfonium tetrafluoroborate24806-57-335 % similar 2,4,6-Triphenylpyrylium tetrafluoroborate448-61-333 % similar Di-tert-butylphenylphosphonium tetrafluoroborate612088-55-833 % similar S-(Trifluoromethyl)dibenzothiophenium tetrafluoroborate131880-16-532 % similar ((-)-1,2-Bis(2R,5R-2,5-dimethylphospholano)benzene)(1,5-cyclooctadiene)rhodium(I) tetrafluoroborate210057-23-132 % similar

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

Elsewhere

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