Isopentyltriphenylphosphonium bromide

C23H26BrPCAS 28322-40-9413.34 g/mol

Open in Covalent MOL file
P+Br−

Properties

Molecular formula
C23H26BrP
Molar mass
413.34 g/mol
Exact mass
412.0956 Da
Melting point
152–153 °C
logP
2.03Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
6

Hazards

Warning
Irritant (GHS07)

Aggregated from 45 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
28322-40-9
SMILES
CC(C)CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIKey
GZLGTVRDLCJQTO-UHFFFAOYSA-M
InChI
InChI=1S/C23H26P.BrH/c1-20(2)18-19-24(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23;/h3-17,20H,18-19H2,1-2H3;1H/q+1;/p-1

Weigh it out

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Names and synonyms

6 names
  • Phosphonium, (3-methylbutyl)triphenyl-, bromide (1:1)
  • Phosphonium, isopentyltriphenyl-, bromide
  • Phosphonium, (3-methylbutyl)triphenyl-, bromide
  • (3-Methylbutyl)triphenylphosphonium bromide
  • Isoamyltriphenylphosphonium bromide
  • (3-Methylbutyl)triphenylphosphanium bromide

Work with Isopentyltriphenylphosphonium 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 bromide22884-29-367 % similar Ethane-1,2-diylbis(triphenylphosphonium) bromide1519-45-563 % similar [2-(1,3-Dioxolan-2-yl)ethyl]triphenylphosphonium bromide86608-70-059 % similar Tetramethylenebis[triphenylphosphonium] dibromide15546-42-659 % similar Propyltriphenylphosphonium bromide6228-47-358 % similar [2-(1,3-Dioxan-2-yl)ethyl]triphenylphosphonium bromide69891-92-556 % similar Butyltriphenylphosphonium bromide1779-51-755 % similar (Cyclopropylmethyl)triphenylphosphonium bromide14799-82-753 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Pentyltriphenylphosphonium bromide21406-61-1

Elsewhere

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