chempirical

(3-Trimethylsilyl-2-propynyl)triphenylphosphonium bromide

C24H26BrPSiCAS 42134-49-6453.43 g/mol

Open in Covalent MOL file
SiP+Br−
Alkyne

Properties

Molecular formula
C24H26BrPSi
Molar mass
453.43 g/mol
Exact mass
452.0725 Da
logP
1.87Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 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
42134-49-6
SMILES
C[Si](C)(C)C#CC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]
InChIKey
PBSHVEOONSKWJF-UHFFFAOYSA-M
InChI
InChI=1S/C24H26PSi.BrH/c1-26(2,3)21-13-20-25(22-14-7-4-8-15-22,23-16-9-5-10-17-23)24-18-11-6-12-19-24;/h4-12,14-19H,20H2,1-3H3;1H/q+1;/p-1

Weigh it out

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Work with (3-Trimethylsilyl-2-propynyl)triphenylphosphonium bromide

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

Triphenyl-2-propynylphosphonium bromide2091-46-553 % similar Ethyltriphenylphosphonium bromide1530-32-148 % similar Ethane-1,2-diylbis(triphenylphosphonium) bromide1519-45-548 % similar Propyltriphenylphosphonium bromide6228-47-346 % similar Tetramethylenebis[triphenylphosphonium] dibromide15546-42-645 % similar Isobutyltriphenylphosphonium bromide22884-29-344 % similar Bromomethyltriphenylphosphonium bromide1034-49-744 % similar Benzyltriphenylphosphonium bromide1449-46-344 % similar

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

Elsewhere

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