1-Naphthylmethyltriphenylphosphonium chloride

C₂₉H₂₄ClPCAS 23277-00-1438.93 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₂₉H₂₄ClP
Molar mass: 438.93 g/mol
Exact mass: 438.1304 Da
Melting point: 290–291.5 °C
logP: 3.34Crippen 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 irritation97.7% of notifiers

Aggregated from 44 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

23277-00-1

SMILES

[Cl-].c1ccc([P+](Cc2cccc3ccccc23)(c2ccccc2)c2ccccc2)cc1

InChIKey

MOYSMPXSEXYEJV-UHFFFAOYSA-M

InChI

InChI=1S/C29H24P.ClH/c1-4-16-26(17-5-1)30(27-18-6-2-7-19-27,28-20-8-3-9-21-28)23-25-15-12-14-24-13-10-11-22-29(24)25;/h1-22H,23H2;1H/q+1;/p-1

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Names and synonyms

7 names

Phosphonium, (1-naphthalenylmethyl)triphenyl-, chloride (1:1)
Phosphonium, (1-naphthylmethyl)triphenyl-, chloride
Phosphonium, (1-naphthalenylmethyl)triphenyl-, chloride
FS 1
FS 1 (vulcanization accelerator)
(1-Naphthalenemethyl)triphenylphosphonium chloride
(1-Naphthylmethyl)triphenylphosphonium chloride

Work with 1-Naphthylmethyltriphenylphosphonium 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

(2-Methylbenzyl)triphenylphosphonium chloride63368-36-557 % similar Benzyltriphenylphosphonium chloride1100-88-553 % similar (p-Phenylenebis(methylene))bis(triphenylphosphonium) dichloride1519-47-753 % similar 2,6-Dichlorobenzyl triphenylphosphonium chloride18583-54-550 % similar ((2,4-Dichlorophenyl)methyl)triphenylphosphonium chloride2492-23-150 % similar (p-Chlorobenzyl)triphenylphosphonium chloride1530-39-849 % similar 1,2-Di(alpha-naphthyl)ethane15374-45-548 % similar (3-Methylbenzyl)triphenylphosphonium chloride63368-37-646 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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