(3-Chloropropyl)diphenylsulfonium tetrafluoroborate

C₁₅H₁₆BClF₄SCAS 33462-80-5350.61 g/mol

Open in Covalent MOL file

Alkyl halide

Properties

Molecular formula: C₁₅H₁₆BClF₄S
Molar mass: 350.61 g/mol
Exact mass: 350.0690 Da
logP: 5.65Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 5

Hazards

Warning

H302 Harmful if swallowed97.6% of notifiers
H312 Harmful in contact with skin95.1% of notifiers
H315 Causes skin irritation95.1% of notifiers
H319 Causes serious eye irritation95.1% of notifiers
H332 Harmful if inhaled95.1% of notifiers
H335 May cause respiratory irritation95.1% of notifiers

Aggregated from 41 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

33462-80-5

SMILES

[B-](F)(F)(F)F.C1=CC=C(C=C1)[S+](CCCCl)C2=CC=CC=C2

InChIKey

AVYMGNNILZYVOV-UHFFFAOYSA-N

InChI

InChI=1S/C15H16ClS.BF4/c16-12-7-13-17(14-8-3-1-4-9-14)15-10-5-2-6-11-15;2-1(3,4)5/h1-6,8-11H,7,12-13H2;/q+1;-1

Weigh it out

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

Work with (3-Chloropropyl)diphenylsulfonium 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

Cyclopropyldiphenylsulfonium tetrafluoroborate33462-81-644 % similar 1-Chloro-3-phenylpropane104-52-941 % similar 1-Chloro-4-phenylbutane4830-93-739 % similar 1-Chloro-8-phenyloctane61440-32-238 % similar Triphenylcarbenium tetrafluoroborate341-02-635 % similar Phenylethyl chloride622-24-233 % similar 4-Chlorobutyrophenone939-52-633 % similar Dimethylphenacylsulfonium tetrafluoroborate24806-57-332 % similar

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

Elsewhere

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