Ethyltriphenylphosphonium acetate

C₂₂H₂₃O₂PCAS 35835-94-0350.40 g/mol

Open in Covalent MOL file

Carboxylic acid

Properties

Molecular formula: C₂₂H₂₃O₂P
Molar mass: 350.40 g/mol
Exact mass: 350.1436 Da
logP: 2.76Crippen estimate
Polar surface area: 40.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 4

Hazards

Danger

H301 Toxic if swallowed95.1% of notifiers
H314 Causes severe skin burns and eye damage53.4% of notifiers
H315 Causes skin irritation41.7% of notifiers
H318 Causes serious eye damage90.3% of notifiers
H331 Toxic if inhaled35.9% of notifiers
H335 May cause respiratory irritation39.8% of notifiers
H411 Toxic to aquatic life with long lasting effects55.3% of notifiers

Aggregated from 103 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P362+P364, P363, P391, P403+P233, P405, P501

Identifiers

CAS number

35835-94-0

SMILES

CC(=O)[O-].CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1

InChIKey

HZZUMXSLPJFMCB-UHFFFAOYSA-M

InChI

InChI=1S/C20H20P.C2H4O2/c1-2-21(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20;1-2(3)4/h3-17H,2H2,1H3;1H3,(H,3,4)/q+1;/p-1

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Names and synonyms

2 names

Phosphonium, ethyltriphenyl-, acetate (1:1)
Phosphonium, ethyltriphenyl-, acetate

Work with Ethyltriphenylphosphonium acetate

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.

Acetic acid64-19-7Free acid (2H3)Acetic (2H)acid1186-52-3Free acid, labelled Potassium acetate127-08-2Salt Aluminium diacetate142-03-0Salt Calcium acetate62-54-4Salt Copper(II) acetate142-71-2Salt Mercury(II) acetate1600-27-7Salt Lead(II) acetate301-04-2Salt Aluminium triacetate139-12-8Salt 4-Aminophenylmercuric acetate6283-24-5Salt Basic lead acetate1335-32-6Salt Cobalt(II) acetate71-48-7Salt

Similar compounds

Bis(triphenylphosphine)palladium diacetate14588-08-047 % similar Acetonyltriphenylphosphonium chloride1235-21-844 % similar Acetonyltriphenylphosphonium bromide2236-01-344 % similar (2-Carboxyethyl)triphenylphosphonium bromide51114-94-441 % similar Phenylmercury acetate62-38-441 % similar Fentin acetate900-95-841 % similar Triphenylpropylphosphonium15912-75-140 % similar Phenacyltriphenylphosphonium bromide6048-29-940 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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