1-(3-Cyanopropyl)-3-methylimidazolium chloride

Catalog Number

ACM683224966

CAS

683224-96-6

Structure

Description

Nitrile-functionalized ionic liquid showing superior characteristics in Suzuki and Stille coupling reactions.

Synonyms

1-Methyl-3-(3-cyanopropyl)imidazoliumchloride

IUPAC Name

4-(3-methylimidazol-3-ium-1-yl)butanenitrile;chloride

Molecular Weight

185.65

Molecular Formula

C8H12ClN3

Canonical SMILES

C[N+]1=CN(C=C1)CCCC#N.[Cl-]

InChI

1S/C8H12N3.ClH/c1-10-6-7-11(8-10)5-3-2-4-9;/h6-8H,2-3,5H2,1H3;1H/q+1;/p-1

InChI Key

HGPSWUJKMXIBKA-UHFFFAOYSA-M

Melting Point

75-80 °C (lit.)

Flash Point

Not applicable

Purity

TaskSpecificIonicLiquid(TSIL),≥98.5%(T)

Appearance

liquid

Storage

−20°C

Empirical Formula

C8H12ClN3

Exact Mass

185.07200

Hazard Statements

Xi

HSN Code

2942

MDL Number

MFCD09265183

Refractive Index

n20/D 1.441

• Catalog Number: ACM683224966
• CAS: 683224-96-6
• Description: Nitrile-functionalized ionic liquid showing superior characteristics in Suzuki and Stille coupling reactions.
• Synonyms: 1-Methyl-3-(3-cyanopropyl)imidazoliumchloride
• IUPAC Name: 4-(3-methylimidazol-3-ium-1-yl)butanenitrile;chloride
• Molecular Weight: 185.65
• Molecular Formula: C8H12ClN3
• Canonical SMILES: C[N+]1=CN(C=C1)CCCC#N.[Cl-]
• InChI: 1S/C8H12N3.ClH/c1-10-6-7-11(8-10)5-3-2-4-9;/h6-8H,2-3,5H2,1H3;1H/q+1;/p-1
• InChI Key: HGPSWUJKMXIBKA-UHFFFAOYSA-M
• Melting Point: 75-80 °C (lit.)
• Flash Point: Not applicable
• Purity: TaskSpecificIonicLiquid(TSIL),≥98.5%(T)
• Appearance: liquid
• Storage: −20°C
• Empirical Formula: C8H12ClN3
• Exact Mass: 185.07200
• Hazard Statements: Xi
• HSN Code: 2942
• MDL Number: MFCD09265183
• Refractive Index: n20/D 1.441