(3-Methylbenzyl)triphenylphosphonium chloride

C₂₆H₂₄ClPCAS 63368-37-6402.90 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 43 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

63368-37-6

SMILES

Cc1cccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c1.[Cl-]

InChIKey

BNGXYYYYKUGPPF-UHFFFAOYSA-M

InChI

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

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Names and synonyms

2 names

Phosphonium, [(3-methylphenyl)methyl]triphenyl-, chloride (1:1)
Phosphonium, [(3-methylphenyl)methyl]triphenyl-, chloride

Work with (3-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

Benzyltriphenylphosphonium chloride1100-88-567 % similar 3-Methoxybenzyltriphenylphosphonium chloride18880-05-263 % similar (p-Phenylenebis(methylene))bis(triphenylphosphonium) dichloride1519-47-761 % similar (p-Chlorobenzyl)triphenylphosphonium chloride1530-39-856 % similar (p-Methylbenzyl)triphenylphosphonium bromide2378-86-156 % similar 2,6-Dichlorobenzyl triphenylphosphonium chloride18583-54-553 % similar Benzyltriphenylphosphonium bromide1449-46-352 % similar (4-Methoxybenzyl)triphenylphosphonium chloride3462-97-351 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(2-Methylbenzyl)triphenylphosphonium chloride63368-36-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook