Allyltriphenylphosphonium chloride

C₂₁H₂₀ClPCAS 18480-23-4338.81 g/mol

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Properties

Molecular formula: C₂₁H₂₀ClP
Molar mass: 338.81 g/mol
Exact mass: 338.0991 Da
logP: 1.17Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 5

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.5% of notifiers

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

18480-23-4

SMILES

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

InChIKey

FKMJROWWQOJRJX-UHFFFAOYSA-M

InChI

InChI=1S/C21H20P.ClH/c1-2-18-22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;/h2-17H,1,18H2;1H/q+1;/p-1

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Names and synonyms

4 names

Phosphonium, triphenyl-2-propen-1-yl-, chloride (1:1)
Phosphonium, allyltriphenyl-, chloride
Phosphonium, triphenyl-2-propenyl-, chloride
NSC 126440

Work with Allyltriphenylphosphonium 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.

Allyltriphenylphosphonium bromide1560-54-9Salt

Similar compounds

(But-2-ene-1,4-diyl)bis(triphenylphosphanium) dichloride106423-29-467 % similar (Formylmethyl)triphenylphosphonium chloride62942-43-260 % similar Benzyltriphenylphosphonium chloride1100-88-550 % similar (p-Phenylenebis(methylene))bis(triphenylphosphonium) dichloride1519-47-750 % similar (Hydroxymethyl)triphenylphosphonium chloride5293-83-450 % similar (Chloromethyl)triphenylphosphonium chloride5293-84-550 % similar Ethyl(triphenyl)phosphonium chloride896-33-350 % similar (4-Pentenyl)triphenylphosphonium bromide56771-29-049 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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