(Cyclopropylmethyl)triphenylphosphonium bromide

C₂₂H₂₂BrPCAS 14799-82-7397.30 g/mol

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Properties

Molecular formula: C₂₂H₂₂BrP
Molar mass: 397.30 g/mol
Exact mass: 396.0643 Da
Melting point: 175–177 °C
logP: 1.39Crippen 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 4 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

14799-82-7

SMILES

[Br-].c1ccc([P+](CC2CC2)(c2ccccc2)c2ccccc2)cc1

InChIKey

WFQSHRSBITUSIB-UHFFFAOYSA-M

InChI

InChI=1S/C22H22P.BrH/c1-4-10-20(11-5-1)23(18-19-16-17-19,21-12-6-2-7-13-21)22-14-8-3-9-15-22;/h1-15,19H,16-18H2;1H/q+1;/p-1

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Names and synonyms

2 names

Phosphonium, (cyclopropylmethyl)triphenyl-, bromide (1:1)
Phosphonium, (cyclopropylmethyl)triphenyl-, bromide

Work with (Cyclopropylmethyl)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

Isobutyltriphenylphosphonium bromide22884-29-362 % similar (1,3-Dioxolan-2-ylmethyl)triphenylphosphonium bromide52509-14-558 % similar Ethane-1,2-diylbis(triphenylphosphonium) bromide1519-45-558 % similar Tetramethylenebis[triphenylphosphonium] dibromide15546-42-654 % similar Isopentyltriphenylphosphonium bromide28322-40-953 % similar Bromomethyltriphenylphosphonium bromide1034-49-752 % similar Cyclopropyltriphenylphosphonium bromide14114-05-752 % similar Benzyltriphenylphosphonium bromide1449-46-352 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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