Propyltriphenylphosphonium bromide

C₂₁H₂₂BrPCAS 6228-47-3385.28 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₂₁H₂₂BrP
Molar mass: 385.28 g/mol
Exact mass: 384.0643 Da
Melting point: 229–230 °C
logP: 1.39Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 5

Hazards

Warning

H302 Harmful if swallowed86% of notifiers
H312 Harmful in contact with skin86% of notifiers
H315 Causes skin irritation14% of notifiers
H319 Causes serious eye irritation14% of notifiers
H335 May cause respiratory irritation14% of notifiers

Aggregated from 50 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

6228-47-3

SMILES

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

InChIKey

XMQSELBBYSAURN-UHFFFAOYSA-M

InChI

InChI=1S/C21H22P.BrH/c1-2-18-22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;/h3-17H,2,18H2,1H3;1H/q+1;/p-1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names

Phosphonium, triphenylpropyl-, bromide (1:1)
Phosphonium, triphenylpropyl-, bromide
Triphenylpropylphosphonium bromide
n-Propyltriphenylphosphonium bromide
NSC 50539
Bromo(propyl)triphenylphosphorane

Work with Propyltriphenylphosphonium 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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Triphenylpropylphosphonium15912-75-1Cation

Similar compounds

Butyltriphenylphosphonium bromide1779-51-778 % similar Pentyltriphenylphosphonium bromide21406-61-175 % similar Heptyltriphenylphosphonium bromide13423-48-872 % similar Hexadecyltriphenylphosphonium bromide14866-43-472 % similar Dodecyltriphenylphosphonium bromide15510-55-172 % similar Tetradecyltriphenylphosphonium bromide25791-20-272 % similar Decyltriphenylphosphonium bromide32339-43-872 % similar Octyltriphenylphosphonium bromide42036-78-272 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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