1-Methyl-3-n-octylimidazolium Tetrafluoroborate

Catalog Number

ACM244193520-2

CAS

244193-52-0

Structure

Description

Enzyme catalysis in ionic liquids: lipase-catalyzed kinetic resolution; phase behaviour

Synonyms

OMIMBF4

IUPAC Name

1-methyl-3-octylimidazol-1-ium;tetrafluoroborate

Molecular Weight

282.13

Molecular Formula

C12H23BF4N2

Canonical SMILES

[B-](F)(F)(F)F.CCCCCCCCN1C=C[N+](=C1)C

InChI

1S/C12H23N2.BF4/c1-3-4-5-6-7-8-9-14-11-10-13(2)12-14;2-1(3,4)5/h10-12H,3-9H2,1-2H3;/q+1;-1

InChI Key

GXZCAMSPWNHTAE-UHFFFAOYSA-N

Boiling Point

>350 °C (lit.)

Melting Point

25-35 °C

Flash Point

Not applicable

Purity

>97.0%(HPLC)(N)

Appearance

Light yellow to Brown clear liquid

Storage

Store under inert gas, 2-8°C

Complexity

155

Covalently-Bonded Unit Count

2

Exact Mass

282.189042g/mol

Hazard Statements

H315 : Causes skin irritation.H319 : Causes serious eye irritation.

Heavy Atom Count

19

MDL Number

MFCD03095434

Monoisotopic Mass

282.189042g/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.P362 : Take off contaminated clothing and wash before reuse.

REAXYS Number

8369411

Refractive Index

n20/D 1.505-1.515

• Catalog Number: ACM244193520-2
• CAS: 244193-52-0
• Description: Enzyme catalysis in ionic liquids: lipase-catalyzed kinetic resolution; phase behaviour
• Synonyms: OMIMBF4
• IUPAC Name: 1-methyl-3-octylimidazol-1-ium;tetrafluoroborate
• Molecular Weight: 282.13
• Molecular Formula: C12H23BF4N2
• Canonical SMILES: [B-](F)(F)(F)F.CCCCCCCCN1C=C[N+](=C1)C
• InChI: 1S/C12H23N2.BF4/c1-3-4-5-6-7-8-9-14-11-10-13(2)12-14;2-1(3,4)5/h10-12H,3-9H2,1-2H3;/q+1;-1
• InChI Key: GXZCAMSPWNHTAE-UHFFFAOYSA-N
• Boiling Point: >350 °C (lit.)
• Melting Point: 25-35 °C
• Flash Point: Not applicable
• Purity: >97.0%(HPLC)(N)
• Appearance: Light yellow to Brown clear liquid
• Storage: Store under inert gas, 2-8°C
• Complexity: 155
• Covalently-Bonded Unit Count: 2
• Exact Mass: 282.189042g/mol
• Hazard Statements: H315 : Causes skin irritation.H319 : Causes serious eye irritation.
• Heavy Atom Count: 19
• MDL Number: MFCD03095434
• Monoisotopic Mass: 282.189042g/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.P362 : Take off contaminated clothing and wash before reuse.
• REAXYS Number: 8369411
• Refractive Index: n20/D 1.505-1.515