Tri-n-butyl tetradecyl phosphonium chloride

C₂₆H₅₆ClPCAS 81741-28-8435.16 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₂₆H₅₆ClP
Molar mass: 435.16 g/mol
Exact mass: 434.3808 Da
logP: 7.11Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 22

Hazards

Danger

H302 Harmful if swallowed98.8% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage21% of notifiers
H330 Fatal if inhaled51.9% of notifiers
H400 Very toxic to aquatic life50.6% of notifiers
H410 Very toxic to aquatic life with long lasting effects51.9% of notifiers

Aggregated from 81 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P264+P265, P270, P271, P273, P280, P284, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P320, P321, P330, P363, P391, P403+P233, P405, P501

Identifiers

CAS number

81741-28-8

SMILES

CCCCCCCCCCCCCC[P+](CCCC)(CCCC)CCCC.[Cl-]

InChIKey

AKUNSPZHHSNFFX-UHFFFAOYSA-M

InChI

InChI=1S/C26H56P.ClH/c1-5-9-13-14-15-16-17-18-19-20-21-22-26-27(23-10-6-2,24-11-7-3)25-12-8-4;/h5-26H2,1-4H3;1H/q+1;/p-1

Weigh it out

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Names and synonyms

8 names

Tributyltetradecylphosphonium chloride
Phosphonium, tributyltetradecyl-, chloride (1:1)
Phosphonium, tributyltetradecyl-, chloride
Belclene 350
Cyphos IL 167
Bellacide 350
Tetradecyltributylphosphonium chloride
Bellacide 355

Work with Tri-n-butyl tetradecyl phosphonium chloride

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

Tetrabutylphosphonium chloride2304-30-584 % similar Hexadecyltributylphosphonium bromide14937-45-273 % similar Tributyldodecylphosphonium bromide15294-63-073 % similar Tetraoctylphosphonium bromide23906-97-068 % similar Tetrabutylphosphonium hydroxide14518-69-559 % similar Tetrabutylphosphonium iodide3115-66-059 % similar Tetrabutylphosphonium bromide3115-68-259 % similar Octane111-65-947 % similar

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

Elsewhere

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