Butyltriphenylphosphonium chloride

C₂₂H₂₄ClPCAS 13371-17-0354.86 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₂₂H₂₄ClP
Molar mass: 354.86 g/mol
Exact mass: 354.1304 Da
Melting point: 220–222 °C
logP: 1.78Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 6

Hazards

Danger

H301 Toxic if swallowed40% of notifiers
H302 Harmful if swallowed48.4% of notifiers
H311 Toxic in contact with skin39.2% of notifiers
H315 Causes skin irritation98.9% of notifiers
H319 Causes serious eye irritation98.9% of notifiers
H331 Toxic if inhaled39.2% of notifiers
H335 May cause respiratory irritation98.6% of notifiers
H411 Toxic to aquatic life with long lasting effects15.7% of notifiers
H412 Harmful to aquatic life with long lasting effects20% of notifiers

Aggregated from 370 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

13371-17-0

SMILES

CCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]

InChIKey

MFIUDWFSVDFDDY-UHFFFAOYSA-M

InChI

InChI=1S/C22H24P.ClH/c1-2-3-19-23(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22;/h4-18H,2-3,19H2,1H3;1H/q+1;/p-1

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Names and synonyms

4 names

Phosphonium, butyltriphenyl-, chloride (1:1)
Phosphonium, butyltriphenyl-, chloride
Triphenylbutylphosphonium chloride
n-Butyl(triphenyl)phosphonium chloride

Work with Butyltriphenylphosphonium 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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Butyltriphenylphosphonium bromide1779-51-7Salt

Similar compounds

Pentyltriphenylphosphonium bromide21406-61-170 % similar Heptyltriphenylphosphonium bromide13423-48-868 % similar Hexadecyltriphenylphosphonium bromide14866-43-468 % similar Dodecyltriphenylphosphonium bromide15510-55-168 % similar Tetradecyltriphenylphosphonium bromide25791-20-268 % similar Decyltriphenylphosphonium bromide32339-43-868 % similar Octyltriphenylphosphonium bromide42036-78-268 % similar Hexyltriphenylphosphonium bromide4762-26-968 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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