1-Ethyl-3-methylimidazolium Thiocyanate

Catalog Number

ACM331717636

CAS

331717-63-6

Structure

Synonyms

EMIMSCN

IUPAC Name

1-ethyl-3-methylimidazol-3-ium;thiocyanate

Molecular Weight

169.25

Molecular Formula

C7H11N3S

Canonical SMILES

CCN1C=C[N+](=C1)C.C(#N)[S-]

InChI

1S/C6H11N2.CHNS/c1-3-8-5-4-7(2)6-8;2-1-3/h4-6H,3H2,1-2H3;3H/q+1;/p-1

InChI Key

VASPYXGQVWPGAB-UHFFFAOYSA-M

Boiling Point

>350 °C (lit.)

Melting Point

-6 °C

Flash Point

Not applicable

Purity

>99.0%(T)(HPLC)

Density

1.12 g/cm³

Appearance

Colorless to Light orange to Yellow clear liquid

Application

intermediate

Storage

2-8°C

Chemical Formula

[EMIM]SCN

Complexity

104

Conductivity

17.8 mS/cm

Covalently-Bonded Unit Count

2

Exact Mass

169.067369g/mol

Hazard Statements

H302+H312+H332-H315-H319-H335

Heavy Atom Count

11

MDL Number

MFCD06798182

Monoisotopic Mass

169.067369g/mol

Precautionary Statements

P501-P261-P270-P271-P264-P280-P337+P313-P305+P351+P338-P332+P313-P362-P301+P312+P330-P302+P352+P312-P304+P340+P312-P403+P233-P405

REAXYS Number

9430717

Refractive Index

n20/D 1.41

Viscosity

24.7 cP

• Catalog Number: ACM331717636
• CAS: 331717-63-6
• Synonyms: EMIMSCN
• IUPAC Name: 1-ethyl-3-methylimidazol-3-ium;thiocyanate
• Molecular Weight: 169.25
• Molecular Formula: C7H11N3S
• Canonical SMILES: CCN1C=C[N+](=C1)C.C(#N)[S-]
• InChI: 1S/C6H11N2.CHNS/c1-3-8-5-4-7(2)6-8;2-1-3/h4-6H,3H2,1-2H3;3H/q+1;/p-1
• InChI Key: VASPYXGQVWPGAB-UHFFFAOYSA-M
• Boiling Point: >350 °C (lit.)
• Melting Point: -6 °C
• Flash Point: Not applicable
• Purity: >99.0%(T)(HPLC)
• Density: 1.12 g/cm³
• Appearance: Colorless to Light orange to Yellow clear liquid
• Application: intermediate
• Storage: 2-8°C
• Chemical Formula: [EMIM]SCN
• Complexity: 104
• Conductivity: 17.8 mS/cm
• Covalently-Bonded Unit Count: 2
• Exact Mass: 169.067369g/mol
• Hazard Statements: H302+H312+H332-H315-H319-H335
• Heavy Atom Count: 11
• MDL Number: MFCD06798182
• Monoisotopic Mass: 169.067369g/mol
• Precautionary Statements: P501-P261-P270-P271-P264-P280-P337+P313-P305+P351+P338-P332+P313-P362-P301+P312+P330-P302+P352+P312-P304+P340+P312-P403+P233-P405
• REAXYS Number: 9430717
• Refractive Index: n20/D 1.41
• Viscosity: 24.7 cP