1-Butyl-3-methylimidazolium thiocyanate

Catalog Number

ACM344790870

Product Name

1-Butyl-3-methylimidazolium thiocyanate

Structure

CAS

344790-87-0

Category

Imidazolium Ionic Liquids

Description

1-Butyl-3-methylimidazolium thiocyanate ([BMIM][SCN]) ionic liquid can be used as an alternative to conventional entrainers in the extractive distillation of cyclohexane and benzene. It can also be used in polyethylene oxide-sodium perchlorate electrolyte to increase its ionic conductivity at room temperature.

Synonyms

1-Butyl-3-methyl-1H-imidazoliumthiocyanate

IUPAC Name

1-butyl-3-methylimidazol-3-ium;thiocyanate

Molecular Weight

197.30

Molecular Formula

C9H15N3S

Canonical SMILES

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

InChI

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

InChI Key

SIXHYMZEOJSYQH-UHFFFAOYSA-M

Melting Point

75-80 °C (lit.)

Flash Point

403.7 °F - closed cup

Appearance

Light yellow to Yellow to Orange clear liquid

Application

CAS: 344790-87-0, MF: C9H15N3S, MW: 197.30

Storage

Store under inert gas, -20℃

Abbreviation

BMIMSCN

Chemical Formula

[BMIM] SCN

Complexity

125

Condition To Avoid

Hygroscopic

Covalently-Bonded Unit Count

2

Exact Mass

197.098669g/mol

Formal Charge

0

Hazard Statements

H302 + H332 : Harmful if swallowed or if inhaled.H315 : Causes skin irritation.H319 : Causes serious eye irritation.H335 : May cause respiratory irritation.

H-Bond Acceptor

2

H-Bond Donor

0

Heavy Atom Count

13

MDL Number

MFCD06798181

Monoisotopic Mass

197.098669g/mol

Precautionary Statements

P501 : Dispose of contents/ container to an approved waste disposal plant.P261 : Avoid breathing dust/ fume/ gas/ mist/ vapors/ spray.P270 : Do not eat, drink or smoke when using this product.P271 : Use only outdoors or in a well-ventilated area.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.P301 + P312 + P330 : IF SWALLOWED: Call a POISON CENTER/doctor if you feel unwell. Rinse mouth.P304 + P340 + P312 : IF INHALED: Remove person to fresh air and keep comfortable for breathing. Call a POISON CENTER/doctor if you feel unwell.P403 + P233 : Store in a well-ventilated place. Keep container tightly closed.P405 : Store locked up.

Refractive Index

n20/D 1.52

Rotatable Bond Count

3

Signal Word

Warning

SpecificGravity

1.07

MSDS

COA

Spec Sheet