Tetradecyltriphenylphosphonium bromide

C₃₂H₄₄BrPCAS 25791-20-2539.58 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₃₂H₄₄BrP
Molar mass: 539.58 g/mol
Exact mass: 538.2364 Da
Melting point: 97 °C
logP: 5.69Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 16

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation80% of notifiers

Aggregated from 5 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

25791-20-2

SMILES

CCCCCCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]

InChIKey

FUMBGFNGBMYHGH-UHFFFAOYSA-M

InChI

InChI=1S/C32H44P.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-22-29-33(30-23-16-13-17-24-30,31-25-18-14-19-26-31)32-27-20-15-21-28-32;/h13-21,23-28H,2-12,22,29H2,1H3;1H/q+1;/p-1

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Names and synonyms

5 names

Phosphonium, triphenyltetradecyl-, bromide (1:1)
Phosphonium, triphenyltetradecyl-, bromide
Triphenyltetradecylphosphonium bromide
TDTPPB
Myristyltriphenyl phosphonium bromide

Work with Tetradecyltriphenylphosphonium 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

Heptyltriphenylphosphonium bromide13423-48-8100 % similar Hexadecyltriphenylphosphonium bromide14866-43-4100 % similar Dodecyltriphenylphosphonium bromide15510-55-1100 % similar Decyltriphenylphosphonium bromide32339-43-8100 % similar Octyltriphenylphosphonium bromide42036-78-2100 % similar Hexyltriphenylphosphonium bromide4762-26-9100 % similar Pentyltriphenylphosphonium bromide21406-61-196 % similar Butyltriphenylphosphonium bromide1779-51-786 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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