Ethyl(triphenyl)phosphonium chloride

C₂₀H₂₀ClPCAS 896-33-3326.80 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₂₀H₂₀ClP
Molar mass: 326.80 g/mol
Exact mass: 326.0991 Da
Melting point: 234–236 °C
logP: 1.00Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 4

Hazards

Warning

H302 Harmful if swallowed80% of notifiers
H312 Harmful in contact with skin80% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation80% of notifiers
H411 Toxic to aquatic life with long lasting effects80% of notifiers

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

896-33-3

SMILES

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

InChIKey

NJXBVBPTDHBAID-UHFFFAOYSA-M

InChI

InChI=1S/C20H20P.ClH/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

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Names and synonyms

4 names

Ethyltriphenylphosphonium chloride
Phosphonium, ethyltriphenyl-, chloride (1:1)
Phosphonium, ethyltriphenyl-, chloride
Triphenylethylphosphonium chloride

Work with Ethyl(triphenyl)phosphonium chloride

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.

Ethyltriphenylphosphonium bromide1530-32-1Salt Ethyltriphenylphosphonium iodide4736-60-1Salt Ethyltriphenylphosphonium acetate35835-94-0Salt

Similar compounds

Butyltriphenylphosphonium chloride13371-17-059 % similar (But-2-ene-1,4-diyl)bis(triphenylphosphanium) dichloride106423-29-456 % similar Benzyltriphenylphosphonium chloride1100-88-556 % similar (p-Phenylenebis(methylene))bis(triphenylphosphonium) dichloride1519-47-756 % similar (Hydroxymethyl)triphenylphosphonium chloride5293-83-456 % similar (Chloromethyl)triphenylphosphonium chloride5293-84-556 % similar (Methoxymethyl)triphenylphosphonium chloride4009-98-755 % similar Triphenylpropylphosphonium15912-75-152 % similar

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

Elsewhere

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