((2,4-Dichlorophenyl)methyl)triphenylphosphonium chloride

C₂₅H₂₀Cl₃PCAS 2492-23-1457.76 g/mol

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Properties

Molecular formula: C₂₅H₂₀Cl₃P
Molar mass: 457.76 g/mol
Exact mass: 456.0368 Da
Melting point: 246–249 °C
logP: 3.49Crippen 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 irritation97.4% of notifiers

Aggregated from 39 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

2492-23-1

SMILES

Clc1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(Cl)c1.[Cl-]

InChIKey

FWBSWSPGFNAXPP-UHFFFAOYSA-M

InChI

InChI=1S/C25H20Cl2P.ClH/c26-21-17-16-20(25(27)18-21)19-28(22-10-4-1-5-11-22,23-12-6-2-7-13-23)24-14-8-3-9-15-24;/h1-18H,19H2;1H/q+1;/p-1

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Names and synonyms

5 names

Phosphonium, [(2,4-dichlorophenyl)methyl]triphenyl-, chloride (1:1)
Phosphonium, (2,4-dichlorobenzyl)triphenyl-, chloride
Phosphonium, [(2,4-dichlorophenyl)methyl]triphenyl-, chloride
(2,4-Dichlorobenzyl)triphenylphosphonium chloride
NSC 124000

Work with ((2,4-Dichlorophenyl)methyl)triphenylphosphonium 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

Similar compounds

(p-Chlorobenzyl)triphenylphosphonium chloride1530-39-859 % similar 1-Naphthylmethyltriphenylphosphonium chloride23277-00-150 % similar (2-Methylbenzyl)triphenylphosphonium chloride63368-36-548 % similar Benzyltriphenylphosphonium chloride1100-88-547 % similar (p-Phenylenebis(methylene))bis(triphenylphosphonium) dichloride1519-47-747 % similar 2,4-Dichlorobenzyl chloride94-99-546 % similar (3-Methylbenzyl)triphenylphosphonium chloride63368-37-645 % similar 2,4-Dichlorobenzeneacetonitrile6306-60-145 % similar

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

Same formula

2,6-Dichlorobenzyl triphenylphosphonium chloride18583-54-5

Elsewhere

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