Pentyltriphenylphosphonium bromide

C₂₃H₂₆BrPCAS 21406-61-1413.34 g/mol

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Properties

Molecular formula: C₂₃H₂₆BrP
Molar mass: 413.34 g/mol
Exact mass: 412.0956 Da
Melting point: 165–167.5 °C
logP: 2.17Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 7

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 46 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

21406-61-1

SMILES

CCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]

InChIKey

VAUKWMSXUKODHR-UHFFFAOYSA-M

InChI

InChI=1S/C23H26P.BrH/c1-2-3-13-20-24(21-14-7-4-8-15-21,22-16-9-5-10-17-22)23-18-11-6-12-19-23;/h4-12,14-19H,2-3,13,20H2,1H3;1H/q+1;/p-1

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Names and synonyms

4 names

Phosphonium, pentyltriphenyl-, bromide (1:1)
Phosphonium, pentyltriphenyl-, bromide
Amyltriphenylphosphonium bromide
Bromo(pentyl)triphenylphosphorane

Work with Pentyltriphenylphosphonium 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

Heptyltriphenylphosphonium bromide13423-48-896 % similar Hexadecyltriphenylphosphonium bromide14866-43-496 % similar Dodecyltriphenylphosphonium bromide15510-55-196 % similar Tetradecyltriphenylphosphonium bromide25791-20-296 % similar Decyltriphenylphosphonium bromide32339-43-896 % similar Octyltriphenylphosphonium bromide42036-78-296 % similar Hexyltriphenylphosphonium bromide4762-26-996 % similar Butyltriphenylphosphonium bromide1779-51-789 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Isopentyltriphenylphosphonium bromide28322-40-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook