1-Butyl-3-methylimidazolium trifluoromethanesulfonate

Catalog Number

ACM174899662

CAS

174899-66-2

Structure

Description

1-Butyl-3-methylimidazolium trifluoromethanesulfonate is an aprotic neutral ionic liquid. It can be used as an alternative to lithium perchlorate-diethyl ether mixture in the Diels-Alder reaction.

Synonyms

BMIMOtf

IUPAC Name

1-butyl-3-methylimidazol-3-ium;trifluoromethanesulfonate

Molecular Weight

288.29

Molecular Formula

C9H15F3N2O3S

Canonical SMILES

CCCCN1C=C[N+](=C1)C.C(F)(F)(F)S(=O)(=O)[O-]

InChI

1S/C8H15N2.CHF3O3S/c1-3-4-5-10-7-6-9(2)8-10;2-1(3,4)8(5,6)7/h6-8H,3-5H2,1-2H3;(H,5,6,7)/q+1;/p-1

InChI Key

FRZPYEHDSAQGAS-UHFFFAOYSA-M

Melting Point

75-80 °C (lit.)

Flash Point

212.0 °F

Purity

>98.0%(N)

Density

1.2951

Appearance

Colorless to Yellow to Green clear liquid

Application

Metal Plating, Electropolishing, Metal Reprocessing, Phase transfer media, Batteries Fuel Cells, Nanomaterials, Industrial Solvents, Nuclear Fuel Red Waste, Enzymatic Catalysis, Lubricants Heat Transfer and Solar Energy Conversion.

Storage

Store under inert gas, -20℃

Chemical Formula

BMIMOTF

Complexity

238

Covalently-Bonded Unit Count

2

Empirical Formula

C9H15F3N2O3S

Exact Mass

288.075548g/mol

Hazard Statements

H315 : Causes skin irritation.H320 : Causes serious eye irritation.

Heavy Atom Count

18

MDL Number

MFCD03427620

Monoisotopic Mass

288.075548g/mol

Precautionary Statements

P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ eye protection/ face protection.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P363 : Take off contaminated clothing and wash before reuse.

REAXYS Number

8806425

Refractive Index

n20/D 1.434

• Catalog Number: ACM174899662
• CAS: 174899-66-2
• Description: 1-Butyl-3-methylimidazolium trifluoromethanesulfonate is an aprotic neutral ionic liquid. It can be used as an alternative to lithium perchlorate-diethyl ether mixture in the Diels-Alder reaction.
• Synonyms: BMIMOtf
• IUPAC Name: 1-butyl-3-methylimidazol-3-ium;trifluoromethanesulfonate
• Molecular Weight: 288.29
• Molecular Formula: C9H15F3N2O3S
• Canonical SMILES: CCCCN1C=C[N+](=C1)C.C(F)(F)(F)S(=O)(=O)[O-]
• InChI: 1S/C8H15N2.CHF3O3S/c1-3-4-5-10-7-6-9(2)8-10;2-1(3,4)8(5,6)7/h6-8H,3-5H2,1-2H3;(H,5,6,7)/q+1;/p-1
• InChI Key: FRZPYEHDSAQGAS-UHFFFAOYSA-M
• Melting Point: 75-80 °C (lit.)
• Flash Point: 212.0 °F
• Purity: >98.0%(N)
• Density: 1.2951
• Appearance: Colorless to Yellow to Green clear liquid
• Application: Metal Plating, Electropolishing, Metal Reprocessing, Phase transfer media, Batteries Fuel Cells, Nanomaterials, Industrial Solvents, Nuclear Fuel Red Waste, Enzymatic Catalysis, Lubricants Heat Transfer and Solar Energy Conversion.
• Storage: Store under inert gas, -20℃
• Chemical Formula: BMIMOTF
• Complexity: 238
• Covalently-Bonded Unit Count: 2
• Empirical Formula: C9H15F3N2O3S
• Exact Mass: 288.075548g/mol
• Hazard Statements: H315 : Causes skin irritation.H320 : Causes serious eye irritation.
• Heavy Atom Count: 18
• MDL Number: MFCD03427620
• Monoisotopic Mass: 288.075548g/mol
• Precautionary Statements: P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ eye protection/ face protection.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P363 : Take off contaminated clothing and wash before reuse.
• REAXYS Number: 8806425
• Refractive Index: n20/D 1.434