2,6-Dichlorobenzyl triphenylphosphonium chloride

C₂₅H₂₀Cl₃PCAS 18583-54-5457.76 g/mol

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Properties

Molecular formula: C₂₅H₂₀Cl₃P
Molar mass: 457.76 g/mol
Exact mass: 456.0368 Da
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 irritation100% of notifiers

Aggregated from 4 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

18583-54-5

SMILES

C1=CC=C(C=C1)[P+](CC2=C(C=CC=C2Cl)Cl)(C3=CC=CC=C3)C4=CC=CC=C4.[Cl-]

InChIKey

NBWPWZJEEQWREI-UHFFFAOYSA-M

InChI

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

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Names and synonyms

1 names

(2,6-Dichlorobenzyl)triphenylphosphonium chloride

Work with 2,6-Dichlorobenzyl 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

Benzyltriphenylphosphonium chloride1100-88-557 % similar (p-Phenylenebis(methylene))bis(triphenylphosphonium) dichloride1519-47-757 % similar (p-Chlorobenzyl)triphenylphosphonium chloride1530-39-856 % similar (3-Methylbenzyl)triphenylphosphonium chloride63368-37-653 % similar (Chloromethyl)triphenylphosphonium chloride5293-84-552 % similar 1-Naphthylmethyltriphenylphosphonium chloride23277-00-150 % similar 3-Methoxybenzyltriphenylphosphonium chloride18880-05-248 % similar (2-Methylbenzyl)triphenylphosphonium chloride63368-36-547 % similar

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

Same formula

((2,4-Dichlorophenyl)methyl)triphenylphosphonium chloride2492-23-1

Elsewhere

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