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Merck
CN

144800

Tetrabutylphosphonium chloride

greener alternative

96%, liquid

Synonym(s):

Tetra-n-butylphosphonium chloride

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About This Item

Linear Formula:
(CH3CH2CH2CH2)4P(Cl)
CAS Number:
Molecular Weight:
294.88
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352001
EC Number:
218-964-8
MDL number:
Beilstein/REAXYS Number:
4019186
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Product Name

Tetrabutylphosphonium chloride, 96%

InChI key

IBWGNZVCJVLSHB-UHFFFAOYSA-M

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

SMILES string

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

assay

96%

form

liquid

greener alternative product characteristics

Catalysis
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sustainability

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mp

62-66 °C (dec.) (lit.)

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Quality Level

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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).

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.

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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

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

ppe

Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges

Regulatory Information

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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
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
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
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.
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.

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