(2-Hydroxybenzyl)triphenylphosphonium bromide

C₂₅H₂₂BrOPCAS 70340-04-4449.33 g/mol

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Properties

Molecular formula: C₂₅H₂₂BrOP
Molar mass: 449.33 g/mol
Exact mass: 448.0592 Da
logP: 4.83Crippen estimate
Polar surface area: 23.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 5

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.8% of notifiers

Aggregated from 45 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

70340-04-4

SMILES

Br.[O-]c1ccccc1C[P+](c1ccccc1)(c1ccccc1)c1ccccc1

InChIKey

FKKZGQXMWVGPMH-UHFFFAOYSA-N

InChI

InChI=1S/C25H21OP.BrH/c26-25-19-11-10-12-21(25)20-27(22-13-4-1-5-14-22,23-15-6-2-7-16-23)24-17-8-3-9-18-24;/h1-19H,20H2;1H

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Names and synonyms

3 names

Phosphonium, [(2-hydroxyphenyl)methyl]triphenyl-, bromide (1:1)
Phosphonium, [(2-hydroxyphenyl)methyl]triphenyl-, bromide
(o-Hydroxybenzyl)triphenylphosphonium bromide

Work with (2-Hydroxybenzyl)triphenylphosphonium bromide

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 chloride63368-36-546 % similar 1-Naphthylmethyltriphenylphosphonium chloride23277-00-145 % similar (2-Carboxyethyl)triphenylphosphonium bromide51114-94-444 % similar Benzyltriphenylphosphonium chloride1100-88-541 % similar Benzyltriphenylphosphonium bromide1449-46-341 % similar (p-Phenylenebis(methylene))bis(triphenylphosphonium) dichloride1519-47-741 % similar (p-Phenylenedimethylene)bis[triphenylphosphonium bromide]40817-03-641 % similar (4-Carboxybutyl)triphenylphosphonium bromide17814-85-640 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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