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144800

Sigma-Aldrich

Tetrabutylphosphonium chloride

greener alternative

96%

Synonym(s):

Tetra-n-butylphosphonium chloride

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About This Item

Linear Formula:
(CH3CH2CH2CH2)4P(Cl)
CAS Number:
Molecular Weight:
294.88
Beilstein:
4019186
EC Number:
MDL number:
UNSPSC Code:
12352001
PubChem Substance ID:
NACRES:
NA.22

Quality Level

Assay

96%

form

liquid

greener alternative product characteristics

Catalysis
Learn more about the Principles of Green Chemistry.

mp

62-66 °C (dec.) (lit.)

greener alternative category

SMILES string

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

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

InChI key

IBWGNZVCJVLSHB-UHFFFAOYSA-M

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General description

We are committed to bringing you Greener Alternative Products, which adhere to one or more of The 12 Principles of Greener Chemistry. This product has been enhanced for catalytic efficiency. Click here for more information.

Application


  • Insight into Cellulose Dissolution with the Tetrabutylphosphonium Chloride-Water Mixture using Molecular Dynamics Simulations.: This study investigates the molecular dynamics of cellulose dissolution in a Tetrabutylphosphonium chloride-water mixture, providing insights into its potential application in biomass processing and material science (Crawford and Ismail, 2020).

  • Thermodynamic and Transport Properties of Tetrabutylphosphonium Hydroxide and Tetrabutylphosphonium Chloride-Water Mixtures via Molecular Dynamics Simulation.: The research focuses on the thermodynamic and transport properties of Tetrabutylphosphonium chloride in water mixtures, highlighting its relevance in developing advanced ionic liquids for various industrial applications (Crawford and Ismail, 2020).

  • End-of-life Treatment of Poly(vinyl chloride) and Chlorinated Polyethylene by Dehydrochlorination in Ionic Liquids.: This article explores the use of Tetrabutylphosphonium chloride as an ionic liquid for the dehydrochlorination of PVC and CPE, demonstrating its utility in sustainable polymer recycling processes (Glas et al., 2014).

Signal Word

Danger

Hazard Classifications

Acute Tox. 1 Inhalation - Acute Tox. 3 Dermal - Acute Tox. 4 Oral - Aquatic Chronic 2 - Eye Dam. 1 - Skin Corr. 1C - Skin Sens. 1B

Storage Class Code

6.1A - Combustible, acute toxic Cat. 1 and 2 / very toxic hazardous materials

WGK

WGK 3

Flash Point(F)

266.0 °F - closed cup

Flash Point(C)

> 130 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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Wenbao Ma et al.
Chemistry (Weinheim an der Bergstrasse, Germany), 23(30), 7287-7296 (2017-04-06)
The efficient and environmentally benign epoxidation of allylic alcohols has been attained by using new kinds of monomeric peroxotantalate anion-functionalized ionic liquids (ILs=[P
B J Dunn et al.
Toxicology, 24(3-4), 245-250 (1982-01-01)
Tetrabutyl phosphonium chloride and tetrabutyl phosphonium bromide were evaluated for their potential to cause primary dermal irritation and acute dermal toxicity in rabbits. Both chemicals were found to not only be severely irritating to skin, but the pure hygroscopic chemicals
Guohui Zhou et al.
The journal of physical chemistry. B, 111(25), 7078-7084 (2007-06-08)
An all-atom force field was set up for a new class of ionic liquids (ILs), tetrabutylphosphonium amino acid, on the basis of the AMBER force field with determining parameters related to the phosphorus atom and modifying several parameters. Ab initio
Mitsuru Abe et al.
Chemical communications (Cambridge, England), 48(12), 1808-1810 (2012-01-06)
Tetrabutylphosphonium hydroxide containing 40 wt% water dissolved 20 wt% cellulose at the final concentration within 5 minutes under mild stirring at 25 °C.
Shohei Saita et al.
Chemical communications (Cambridge, England), 49(1), 93-95 (2012-11-21)
The phase separation temperature of the tetrabutylphosphonium trifluoroacetate-water mixture, which undergoes a lower critical solution temperature-type phase transition, is highly sensitive to the hydrophilicity of added salts; this system can be used to compare the hydrophilicity of the added ions.

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