Tributyldodecylphosphonium bromide

C₂₄H₅₂BrPCAS 15294-63-0451.56 g/mol

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Properties

Molecular formula: C₂₄H₅₂BrP
Molar mass: 451.56 g/mol
Exact mass: 450.2990 Da
logP: 6.33Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 20

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers

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

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number

15294-63-0

SMILES

CCCCCCCCCCCC[P+](CCCC)(CCCC)CCCC.[Br-]

InChIKey

ABJGUZZWSKMTEI-UHFFFAOYSA-M

InChI

InChI=1S/C24H52P.BrH/c1-5-9-13-14-15-16-17-18-19-20-24-25(21-10-6-2,22-11-7-3)23-12-8-4;/h5-24H2,1-4H3;1H/q+1;/p-1

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Names and synonyms

1 names

Dodecyltributylphosphonium bromide

Work with Tributyldodecylphosphonium 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

Hexadecyltributylphosphonium bromide14937-45-2100 % similar Tetraoctylphosphonium bromide23906-97-095 % similar Tetrabutylphosphonium bromide3115-68-284 % similar Tri-n-butyl tetradecyl phosphonium chloride81741-28-873 % similar Tetrabutylphosphonium hydroxide14518-69-559 % similar Tetrabutylphosphonium chloride2304-30-559 % similar Tetrabutylphosphonium iodide3115-66-059 % similar Heptyltriphenylphosphonium bromide13423-48-848 % similar

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

Elsewhere

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