(2-Methylbenzyl)triphenylphosphonium chloride

C₂₆H₂₄ClPCAS 63368-36-5402.90 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₂₆H₂₄ClP
Molar mass: 402.90 g/mol
Exact mass: 402.1304 Da
logP: 2.49Crippen 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 42 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

63368-36-5

SMILES

Cc1ccccc1C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]

InChIKey

RDHRQYBAQXBTNT-UHFFFAOYSA-M

InChI

InChI=1S/C26H24P.ClH/c1-22-13-11-12-14-23(22)21-27(24-15-5-2-6-16-24,25-17-7-3-8-18-25)26-19-9-4-10-20-26;/h2-20H,21H2,1H3;1H/q+1;/p-1

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Names and synonyms

2 names

Phosphonium, [(2-methylphenyl)methyl]triphenyl-, chloride (1:1)
Phosphonium, [(2-methylphenyl)methyl]triphenyl-, chloride

Work with (2-Methylbenzyl)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

1-Naphthylmethyltriphenylphosphonium chloride23277-00-157 % similar Benzyltriphenylphosphonium chloride1100-88-555 % similar (p-Phenylenebis(methylene))bis(triphenylphosphonium) dichloride1519-47-755 % similar Ethyl(triphenyl)phosphonium chloride896-33-350 % similar ((2,4-Dichlorophenyl)methyl)triphenylphosphonium chloride2492-23-148 % similar 2,6-Dichlorobenzyl triphenylphosphonium chloride18583-54-547 % similar (4-Methoxybenzyl)triphenylphosphonium chloride3462-97-346 % similar (p-Chlorobenzyl)triphenylphosphonium chloride1530-39-846 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(3-Methylbenzyl)triphenylphosphonium chloride63368-37-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook