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1-Ethyl-3-methylimidazolium chloroaluminate(III) ([EtMeIm][Al2Cl7]) is a Lewis acidic ionic liquid composed of 1-ethyl-3-methylimidazolium cations and heptachlorodialuminate anions. It exhibits properties typical of chloroaluminate-based ionic liquids, including tunable density and viscosity influenced by molar composition and hydrogen bonding interactions. The binary mixtures of [EtMeIm][Al2Cl7] and [EtMeIm][AlCl4] demonstrate variations in excess molar volumes and viscosities due to changes in molecular symmetry and interionic interactions. 1-ETHYL-3-METHYLIMIDAZOLIUM CHLOROALUMINATE(III)-KIT, is relevant in applications requiring Lewis acid catalysts, such as in the synthesis of polyalphaolefins, where it serves as a safer alternative to hazardous catalysts like BF3. Its structural and physicochemical properties make it a versatile candidate for industrial and research applications involving ionic liquid systems.

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  • 87587-77-7 Structure
  • Basic information

    1. Product Name: 1-ETHYL-3-METHYLIMIDAZOLIUM CHLOROALUMINATE(III)-KIT,
    2. Synonyms: 1-Ethyl-3-methylimidazolium chloroaluminate(III)-kit
    3. CAS NO:87587-77-7
    4. Molecular Formula: Al2Cl7*C6H11N2
    5. Molecular Weight: 112.17288
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 87587-77-7.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: °Cat760mmHg
    3. Flash Point: °C
    4. Appearance: /
    5. Density: g/cm3
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: 1-ETHYL-3-METHYLIMIDAZOLIUM CHLOROALUMINATE(III)-KIT,(CAS DataBase Reference)
    10. NIST Chemistry Reference: 1-ETHYL-3-METHYLIMIDAZOLIUM CHLOROALUMINATE(III)-KIT,(87587-77-7)
    11. EPA Substance Registry System: 1-ETHYL-3-METHYLIMIDAZOLIUM CHLOROALUMINATE(III)-KIT,(87587-77-7)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 87587-77-7(Hazardous Substances Data)

87587-77-7 Usage

Components

1-ethyl-3-methylimidazolium chloride and aluminum chloride
The kit includes these reagents, which react to form the ionic liquid.

Type of ionic liquid

1-ethyl-3-methylimidazolium cations and chloroaluminate anions
Consisting of these charged species, the ionic liquid is formed.

Applications

Organic synthesis, electrochemistry, and biotechnology
The ionic liquid is commonly used as a catalyst or solvent in these fields.

Properties

Non-volatility
The ionic liquid does not easily vaporize or evaporate, making it suitable for use in various chemical processes.

Properties

Thermal stability
The ionic liquid can withstand high temperatures without decomposing, allowing for its use in a range of applications.

Properties

High ionic conductivity
The ionic liquid allows for the efficient movement of ions, making it useful in electrochemical applications.

Check Digit Verification of cas no

The CAS Registry Mumber 87587-77-7 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 8,7,5,8 and 7 respectively; the second part has 2 digits, 7 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 87587-77:
(7*8)+(6*7)+(5*5)+(4*8)+(3*7)+(2*7)+(1*7)=197
197 % 10 = 7
So 87587-77-7 is a valid CAS Registry Number.

87587-77-7SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 16, 2017

Revision Date: Aug 16, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-ethyl-3-methyl-2H-imidazole

1.2 Other means of identification

Product number -
Other names EMIM[Al2Cl7]

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:87587-77-7 SDS

87587-77-7Downstream Products

87587-77-7Relevant articles and documents

Liquid coordination complexes: A new class of Lewis acids as safer alternatives to BF3 in synthesis of polyalphaolefins

Hogg, James M.,Coleman, Fergal,Ferrer-Ugalde, Albert,Atkins, Martin P.,Swad?ba-Kwas?ny, Ma?gorzata

, p. 1831 - 1841 (2015)

Liquid coordination complexes (LCCs) are a new class of liquid Lewis acids, prepared by combining an excess of a metal halide (e.g. GaCl3) with a basic donor molecule (e.g. amides, amines or phosphines). LCCs were used to catalyse oligomerisation of 1-decene to polyalphaolefins (PAOs). Molecular weight distribution and physical properties of the produced oils were compliant with those required for low viscosity synthetic (Group IV) lubricant base oils. Kinematic viscosities at 100 °C of ca. 4 or 6 cSt were obtained, along with viscosity indexes above 120 and pour points below-57 °C. In industry, to achieve similar properties, BF3 gas is used as a catalyst. LCCs are proposed as a safer and economically attractive alternative to BF3 gas for the production of polyalphaolefins. This journal is

Density and Viscosity of Binary Mixtures of 1-Ethyl-3-methylimidazolium Heptachlorodialuminate and Tetrachloroaluminate Ionic Liquids

Zheng, Yong,Zheng, Yongjun,Wang, Qian,Wang, Zhen,Tian, Dayong

, p. 4006 - 4014 (2017)

The densities and viscosities of binary mixtures of 1-ethyl-3-methylimidazolium heptachlorodialuminate and tetrachloroaluminate ionic liquids with different molar compositions were measured by high-precision vibrating tube densimeter and automated microviscometer from 293.15 to 353.15 K. On this basis, the excess molar volumes and excess viscosities of binary mixtures were also calculated for the first time. All the experimental data were well fitted by the empirical equations. According to the results of computational calculations, enhanced molecular symmetry and molar concentration of heptachlorodialuminate anion usually lead to higher density. The hydrogen bonding among ions is confirmed as one of the most important structural parameters in determining the viscosity of ionic liquids. It shows that Lewis acidic 1-ethyl-3-methylimidazolium chloroaluminate can be treated as the classic binary mixtures of heptachlorodialuminate and tetrachloroaluminate ionic liquids. Looser packing and/or weaker interionic interaction probably occurs after the formation of binary mixtures. The results and conclusions of this work will help to promote future research and application of chloroaluminate ionic liquids.

Synthesis of adamantane by ionic liquid-promoted isomerization of tricyclo[5.2.1.02,6]decane and H2SO4-mediated hydroisomerization of pentacyclo[4.4.0.02,4.03,7.08,10]decane

Aminov,Ramazanov,Khusnutdinov

, p. 102 - 106 (2022/02/17)

Adamantane was synthesized by skeletal isomerization of endo- and exo-tricyclo[5.2.1.02,6]-decanes in the presence of ionic liquid [Et3NH]+[Al2Cl7]?—CuSO4. A new method to synthesize adamantane in 75% yield by H2SO4-mediated hydroisomerization of its new precursor, pentacyclo[4.4.0.02,4.03,7.08,10]decane, was developed.

Unraveling the cation and anion effects and kinetics for ionic liquid catalyzed direct synthesis of methyl acrylate under mild conditions

Wang, Gang,Li, Zengxi,Li, Chunshan,Zhang, Suojiang

, p. 7913 - 7923 (2020/12/01)

The direct synthesis of methyl acrylate (MA) from methyl acetate and trioxane at 350-380 °C is regarded as a supplementary route for the industrial propylene oxidation process; however, it suffers from rapid catalyst deactivation. Herein, a novel ionic liquid catalyzed mild liquid-phase system was developed for the direct synthesis of MA from methyl acetate and trioxane, where N,O-bis(trimethylsilyl)acetamide (BSA) was used as a probase for α-deprotonation and enol silyl etherification of methyl acetate. The trioxane decomposition to formaldehyde and methyl acetate enolization to 1-methoxy-1-trimethylsilyloxyethene proceeded with the catalysis of [Cation]Cl/MClx (M = Cu+, Fe3+, Zn2+ and Al3+) and [Cation]F, respectively. The cations and anions were observed to have significant effects on the yield and selectivity of MA, owing to the steric hindrance, acid site category and strength confirmed by pyridine probing FT-IR characterization. As a result, up to 60.2% yield with 94.6% selectivity of MA could be achieved when [N3,3,3,3]F and [N3,3,3,3]Cl/AlCl3 with 67 mol% AlCl3 were used in the presence of BSA at 25 °C. Kinetic studies indicated that the trioxane decomposition with the activation barrier of 41.2 ± 0.3 kJ mol-1 was the rate-determining step.

PROCESS FOR THE PREPARATION OF M-SUBSTITUTED ALKYLTOLUENES BY ISOMERIZATION WITH IONIC LIQUIDS AS CATALYSTS

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Page/Page column 3, (2011/08/22)

The invention relates to a process for the preparation of m-substituted alkyltoluenes of the formula (I) in which R1 is C1-C5-alkyl, wherein a p-substituted alkyltoluene of the formula (II) in which R1 has the meaning given under formula (I), is isomerized in the presence of ionic liquids to give an m-substituted alkyltoluene of the formula (I). The m-substituted alkyltoluenes obtainable according to the invention are starting compounds for the preparation of fragrances and aroma substances.

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