Xtalfluor-E

C₄H₁₀BF₆NSCAS 63517-29-3228.99 g/mol

Open in Covalent MOL file

Tertiary amine

Properties

Molecular formula: C₄H₁₀BF₆NS
Molar mass: 228.99 g/mol
Exact mass: 229.0531 Da
logP: 2.93Crippen estimate
Polar surface area: 3.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 3

Hazards

Danger

H301 Toxic if swallowed100% of notifiers
H311 Toxic in contact with skin100% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H331 Toxic if inhaled100% of notifiers

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

Precautionary statements

P260, P261, P262, P264, P270, P271, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P361+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

63517-29-3

SMILES

[B-](F)(F)(F)F.CCN(CC)[S+](F)F

InChIKey

YLNKFQWRRIXZPJ-UHFFFAOYSA-N

InChI

InChI=1S/C4H10F2NS.BF4/c1-3-7(4-2)8(5)6;2-1(3,4)5/h3-4H2,1-2H3;/q+1;-1

Weigh it out

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

Names and synonyms

1 names

(Diethylamino)difluorosulfonium tetrafluoroborate

Work with Xtalfluor-E

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

Triethyloxonium tetrafluoroborate368-39-840 % similar Tetraethylammonium tetrafluoroborate429-06-135 % similar Triethylmethylammonium tetrafluoroborate69444-47-932 % similar Dibutylamine tetrafluoroborate(1-)12107-76-530 % similar Tetrafluoroboric acid16872-11-030 % similar Tetrabutylammonium tetrafluoroborate429-42-530 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook