1-Butyl-3-methylimidazolium thiocyanate

• CAS: 344790-87-0
• Catalog Number: ACM344790870
• Category: Imidazolium Ionic Liquids
• Molecular Weight: 197.30
• Molecular Formula: C9H15N3S
• 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
• 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
• Specific Gravity: 1.07

Custom Q&A

What is the molecular formula of 1-butyl-3-methylimidazolium thiocyanate?

The molecular formula of 1-butyl-3-methylimidazolium thiocyanate is C9H15N3S.

When was 1-butyl-3-methylimidazolium thiocyanate created?

1-butyl-3-methylimidazolium thiocyanate was created on October 26, 2006.

What is the molecular weight of 1-butyl-3-methylimidazolium thiocyanate?

The molecular weight of 1-butyl-3-methylimidazolium thiocyanate is 197.30 g/mol.

What are some synonyms for 1-butyl-3-methylimidazolium thiocyanate?

Some synonyms for 1-butyl-3-methylimidazolium thiocyanate include 344790-87-0 and 1-butyl-3-methylimidazol-3-ium;thiocyanate.

What is the Canonical SMILES of 1-butyl-3-methylimidazolium thiocyanate?

The Canonical SMILES of 1-butyl-3-methylimidazolium thiocyanate is CCCCN1C=C[N+](=C1)C.C(#N)[S-].

What is the InChIKey of 1-butyl-3-methylimidazolium thiocyanate?

The InChIKey of 1-butyl-3-methylimidazolium thiocyanate is SIXHYMZEOJSYQH-UHFFFAOYSA-M.

How many hydrogen bond acceptors are there in 1-butyl-3-methylimidazolium thiocyanate?

There are 2 hydrogen bond acceptors in 1-butyl-3-methylimidazolium thiocyanate.

Is 1-butyl-3-methylimidazolium thiocyanate a canonicalized compound?

Yes, 1-butyl-3-methylimidazolium thiocyanate is a canonicalized compound.

What is the topological polar surface area of 1-butyl-3-methylimidazolium thiocyanate?

The topological polar surface area of 1-butyl-3-methylimidazolium thiocyanate is 33.6 Å2.

How many compound units are covalently bonded in 1-butyl-3-methylimidazolium thiocyanate?

There are 2 covalently-bonded units in 1-butyl-3-methylimidazolium thiocyanate.