Ethyltriphenylphosphonium iodide

C₂₀H₂₀IPCAS 4736-60-1418.26 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₂₀H₂₀IP
Molar mass: 418.26 g/mol
Exact mass: 418.0347 Da
Melting point: 164–165 °C
logP: 1.00Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 4

Hazards

Danger

H300 Fatal if swallowed26.8% of notifiers
H301 Toxic if swallowed71.9% of notifiers
H312 Harmful in contact with skin53.3% of notifiers
H315 Causes skin irritation57% of notifiers
H318 Causes serious eye damage22.3% of notifiers
H319 Causes serious eye irritation58.3% of notifiers
H335 May cause respiratory irritation54.1% of notifiers
H400 Very toxic to aquatic life22.8% of notifiers
H410 Very toxic to aquatic life with long lasting effects23.1% of notifiers

Aggregated from 381 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

4736-60-1

SMILES

CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[I-]

InChIKey

SLAFUPJSGFVWPP-UHFFFAOYSA-M

InChI

InChI=1S/C20H20P.HI/c1-2-21(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20;/h3-17H,2H2,1H3;1H/q+1;/p-1

Weigh it out

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

Names and synonyms

6 names

Phosphonium, ethyltriphenyl-, iodide (1:1)
Phosphonium, ethyltriphenyl-, iodide
Phenylphosphonium ethyl iodide
Triphenylethylphosphonium iodide
ETPPI
Hishicolin ETPPI

Work with Ethyltriphenylphosphonium 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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Ethyl(triphenyl)phosphonium chloride896-33-3Salt Ethyltriphenylphosphonium bromide1530-32-1Salt Ethyltriphenylphosphonium acetate35835-94-0Salt

Similar compounds

(Trimethylsilylmethyl)triphenylphosphonium iodide3739-98-855 % similar Triphenylpropylphosphonium15912-75-152 % similar Methyltriphenylphosphonium iodide2065-66-950 % similar Tetraphenylphosphonium iodide2065-67-050 % similar Propyltriphenylphosphonium bromide6228-47-347 % similar Isopropyltriphenylphosphonium iodide24470-78-845 % similar Ethane-1,2-diylbis(triphenylphosphonium) bromide1519-45-544 % similar Butyltriphenylphosphonium chloride13371-17-044 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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