(Trimethylsilylmethyl)triphenylphosphonium iodide

C22H26IPSiCAS 3739-98-8476.41 g/mol

Open in Covalent MOL file
SiP+I−

Properties

Molecular formula
C22H26IPSi
Molar mass
476.41 g/mol
Exact mass
476.0586 Da
logP
1.86Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
5

Hazards

Warning
Irritant (GHS07)

Aggregated from 4 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
3739-98-8
SMILES
C[Si](C)(C)C[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[I-]
InChIKey
PPORXBBMZZFXTB-UHFFFAOYSA-M
InChI
InChI=1S/C22H26PSi.HI/c1-24(2,3)19-23(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22;/h4-18H,19H2,1-3H3;1H/q+1;/p-1

Weigh it out

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

Work with (Trimethylsilylmethyl)triphenylphosphonium iodide

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

Ethyltriphenylphosphonium iodide4736-60-155 % similar Methyltriphenylphosphonium iodide2065-66-945 % similar 2-(Trimethylsilyl)ethoxymethyl-triphenylphosphonium chloride82495-75-845 % similar Tetraphenylphosphonium iodide2065-67-044 % similar Triphenylpropylphosphonium15912-75-142 % similar Ethyltriphenylphosphonium bromide1530-32-141 % similar Isopropyltriphenylphosphonium iodide24470-78-841 % similar Ethyl(triphenyl)phosphonium chloride896-33-341 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook