Tetrabutylphosphonium chloride

C₁₆H₃₆ClPCAS 2304-30-5294.89 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₆H₃₆ClP
Molar mass: 294.89 g/mol
Exact mass: 294.2243 Da
Melting point: 80–83 °C
logP: 3.21Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 12

Hazards

Danger

H302 Harmful if swallowed97.8% of notifiers
H310 Fatal in contact with skin84.8% of notifiers
H311 Toxic in contact with skin13% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H317 May cause an allergic skin reaction13% of notifiers
H318 Causes serious eye damage10.9% of notifiers
H330 Fatal if inhaled97.8% of notifiers
H411 Toxic to aquatic life with long lasting effects13% of notifiers

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P262, P264, P264+P265, P270, P271, P272, P273, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P320, P321, P330, P333+P317, P361+P364, P362+P364, P363, P391, P403+P233, P405, P501

Identifiers

CAS number

2304-30-5

SMILES

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

InChIKey

IBWGNZVCJVLSHB-UHFFFAOYSA-M

InChI

InChI=1S/C16H36P.ClH/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h5-16H2,1-4H3;1H/q+1;/p-1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names

Hishicolin PX 4C
Cyphos 443P
Cyphos 443T
Cyphos IL 164
Phosphonium, tetrabutyl-, chloride (1:1)
Phosphonium, tetrabutyl-, chloride
Tetra-n-butylphosphonium chloride

Work with Tetrabutylphosphonium 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.

Tetrabutylphosphonium bromide3115-68-2Salt Tetrabutylphosphonium iodide3115-66-0Salt Tetrabutylphosphonium hydroxide14518-69-5Salt

Similar compounds

Tri-n-butyl tetradecyl phosphonium chloride81741-28-884 % similar Hexadecyltributylphosphonium bromide14937-45-259 % similar Tributyldodecylphosphonium bromide15294-63-059 % similar Tetraoctylphosphonium bromide23906-97-055 % similar Butyltriphenylphosphonium chloride13371-17-046 % similar Tetrabutylammonium chloride1112-67-045 % similar Tetrapentylammonium chloride4965-17-743 % similar Tributylmethylphosphonium iodide1702-42-742 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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