Triphenyl-2-propynylphosphonium bromide

C₂₁H₁₈BrPCAS 2091-46-5381.25 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₂₁H₁₈BrP
Molar mass: 381.25 g/mol
Exact mass: 380.0330 Da
Melting point: 164–167 °C
logP: 0.62Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 4

Identifiers

CAS number

2091-46-5

SMILES

C#CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]

InChIKey

AFZDAWIXETXKRE-UHFFFAOYSA-M

InChI

InChI=1S/C21H18P.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;/h1,3-17H,18H2;1H/q+1;/p-1

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Names and synonyms

7 names

Phosphonium, triphenyl-2-propyn-1-yl-, bromide (1:1)
Phosphonium, triphenyl-2-propynyl-, bromide
Propargyltriphenylphosphonium bromide
Triphenylpropargylphosphonium bromide
2-Propynyltriphenylphosphonium bromide
NSC 219251
P 1379

Work with Triphenyl-2-propynylphosphonium 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

Ethylenebis[triphenylphosphonium bromide]1519-45-556 % similar Tetramethylenebis[triphenylphosphonium] dibromide15546-42-652 % similar Bromomethyltriphenylphosphonium bromide1034-49-750 % similar Benzyltriphenylphosphonium bromide1449-46-350 % similar Ethyltriphenylphosphonium bromide1530-32-150 % similar (p-Phenylenedimethylene)bis[triphenylphosphonium bromide]40817-03-650 % similar (Cyclopropylmethyl)triphenylphosphonium bromide14799-82-747 % similar (Cyanomethyl)triphenylphosphonium chloride4336-70-347 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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