(5-Carboxypentyl)triphenylphosphanium bromide

C₂₄H₂₆BrO₂PCAS 50889-29-7457.35 g/mol

Open in Covalent MOL file

Carboxylic acid

Properties

Molecular formula: C₂₄H₂₆BrO₂P
Molar mass: 457.35 g/mol
Exact mass: 456.0854 Da
Melting point: 195–197 °C
logP: 3.87Crippen estimate
Polar surface area: 40.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 9

Hazards

Warning

H315 Causes skin irritation95.7% of notifiers
H319 Causes serious eye irritation95.7% of notifiers
H335 May cause respiratory irritation93.6% of notifiers

Aggregated from 47 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

50889-29-7

SMILES

Br.O=C([O-])CCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1

InChIKey

JUWYRPZTZSWLCY-UHFFFAOYSA-N

InChI

InChI=1S/C24H25O2P.BrH/c25-24(26)19-11-4-12-20-27(21-13-5-1-6-14-21,22-15-7-2-8-16-22)23-17-9-3-10-18-23;/h1-3,5-10,13-18H,4,11-12,19-20H2;1H

Weigh it out

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Names and synonyms

3 names

Phosphonium, (5-carboxypentyl)triphenyl-, bromide (1:1)
Phosphonium, (5-carboxypentyl)triphenyl-, bromide
(5-Carboxypentyl)triphenylphosphonium bromide

Work with (5-Carboxypentyl)triphenylphosphanium 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

(4-Carboxybutyl)triphenylphosphonium bromide17814-85-697 % similar (2-Carboxyethyl)triphenylphosphonium bromide51114-94-477 % similar Sodium phenylbutyrate1716-12-748 % similar Tetramethylenebis[triphenylphosphonium] dibromide15546-42-647 % similar (3-Carboxypropyl)(triphenyl)phosphanium bromide17857-14-645 % similar Heptyltriphenylphosphonium bromide13423-48-843 % similar Hexadecyltriphenylphosphonium bromide14866-43-443 % similar Dodecyltriphenylphosphonium bromide15510-55-143 % similar

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

Same formula

(3-(Ethoxycarbonyl)propyl)triphenylphosphonium Bromide50479-11-3 [2-(1,3-Dioxan-2-yl)ethyl]triphenylphosphonium bromide69891-92-5

Elsewhere

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