Isobutyltriphenylphosphonium bromide

C22H24BrPCAS 22884-29-3399.31 g/mol

Open in Covalent MOL file
P+Br−

Properties

Molecular formula
C22H24BrP
Molar mass
399.31 g/mol
Exact mass
398.0799 Da
logP
1.64Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
5

Hazards

Warning
Irritant (GHS07)

Aggregated from 42 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
22884-29-3
SMILES
CC(C)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIKey
VIKPDPHNYHUZQW-UHFFFAOYSA-M
InChI
InChI=1S/C22H24P.BrH/c1-19(2)18-23(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22;/h3-17,19H,18H2,1-2H3;1H/q+1;/p-1

Weigh it out

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

Names and synonyms

4 names
  • Phosphonium, (2-methylpropyl)triphenyl-, bromide (1:1)
  • Phosphonium, isobutyltriphenyl-, bromide
  • Phosphonium, (2-methylpropyl)triphenyl-, bromide
  • 2-Methylpropyltriphenylphosphonium bromide

Work with Isobutyltriphenylphosphonium 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

Isopentyltriphenylphosphonium bromide28322-40-967 % similar (Cyclopropylmethyl)triphenylphosphonium bromide14799-82-762 % similar (1,3-Dioxolan-2-ylmethyl)triphenylphosphonium bromide52509-14-556 % similar Ethane-1,2-diylbis(triphenylphosphonium) bromide1519-45-556 % similar Ethyltriphenylphosphonium bromide1530-32-155 % similar Tetramethylenebis[triphenylphosphonium] dibromide15546-42-652 % similar Propyltriphenylphosphonium bromide6228-47-352 % similar Bromomethyltriphenylphosphonium bromide1034-49-750 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Butyltriphenylphosphonium bromide1779-51-7 sec-Butyltriphenylphosphonium bromide3968-92-1

Elsewhere

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