Tetraoctylphosphonium bromide

C₃₂H₆₈BrPCAS 23906-97-0563.77 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₃₂H₆₈BrP
Molar mass: 563.77 g/mol
Exact mass: 562.4242 Da
Melting point: 42 °C
logP: 9.45Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 28

Hazards

Danger

H314 Causes severe skin burns and eye damage29.1% of notifiers
H315 Causes skin irritation70.9% of notifiers
H319 Causes serious eye irritation70.9% of notifiers
H335 May cause respiratory irritation69.1% of notifiers
H413 May cause long lasting harmful effects to aquatic life27.3% of notifiers

Aggregated from 55 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P271, P273, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

23906-97-0

SMILES

CCCCCCCC[P+](CCCCCCCC)(CCCCCCCC)CCCCCCCC.[Br-]

InChIKey

QVBRLOSUBRKEJW-UHFFFAOYSA-M

InChI

InChI=1S/C32H68P.BrH/c1-5-9-13-17-21-25-29-33(30-26-22-18-14-10-6-2,31-27-23-19-15-11-7-3)32-28-24-20-16-12-8-4;/h5-32H2,1-4H3;1H/q+1;/p-1

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Names and synonyms

4 names

Phosphonium, tetraoctyl-, bromide (1:1)
Phosphonium, tetraoctyl-, bromide
Cyphos IL 166
Cyphos 166

Work with Tetraoctylphosphonium 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 bromide14937-45-295 % similar Tributyldodecylphosphonium bromide15294-63-095 % similar Tetrabutylphosphonium bromide3115-68-279 % similar Tri-n-butyl tetradecyl phosphonium chloride81741-28-868 % similar Tetrabutylphosphonium hydroxide14518-69-555 % similar Tetrabutylphosphonium chloride2304-30-555 % similar Tetrabutylphosphonium iodide3115-66-055 % similar Octane111-65-950 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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