1-Butyl-2,3-dimethylimidazolium Trifluoromethanesulfonate

• CAS: 765910-73-4
• Catalog Number: ACM765910734
• Category: Imidazolium Ionic Liquids
• Molecular Weight: 302.31
• Molecular Formula: C10H17F3N2O3S
• Synonyms: 1-Butyl-2,3-dimethylimidazolium Triflate
• IUPAC Name: 1-butyl-2,3-dimethylimidazol-3-ium;trifluoromethanesulfonate
• Canonical SMILES: CCCCN1C=C[N+](=C1C)C.C(F)(F)(F)S(=O)(=O)[O-]
• InChI: 1S/C9H17N2.CHF3O3S/c1-4-5-6-11-8-7-10(3)9(11)2;2-1(3,4)8(5,6)7/h7-8H,4-6H2,1-3H3;(H,5,6,7)/q+1;/p-1
• InChI Key: KSOGGGZFEJTGPZ-UHFFFAOYSA-M
• Melting Point: 44 °C
• Solubility: soluble in Methanol
• Appearance: White to Almost white powder to crystal
• Storage: Store under inert gas
• Abbreviation: BDMIMOTF
• Chemical Formula: BDMIMOTF
• Complexity: 259
• Condition To Avoid: Hygroscopic
• Covalently-Bonded Unit Count: 2
• Exact Mass: 302.091198g/mol
• Formal Charge: 0
• Hazard Statements: H315 : Causes skin irritation.H319 : Causes serious eye irritation.
• H-Bond Acceptor: 6
• H-Bond Donor: 0
• Heavy Atom Count: 19
• MDL Number: MFCD03427624
• Monoisotopic Mass: 302.091198g/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.
• Refractive Index: 1.55
• Rotatable Bond Count: 3
• Signal Word: Warning
• Specific Gravity: 1.12

Custom Q&A

What is the molecular formula of 1-butyl-2,3-dimethylimidazolium trifluoromethanesulfonate?

The molecular formula is C10H17F3N2O3S.

What is the computed molecular weight of 1-butyl-2,3-dimethylimidazolium trifluoromethanesulfonate?

The computed molecular weight is 302.32 g/mol.

What are some synonyms for 1-butyl-2,3-dimethylimidazolium trifluoromethanesulfonate?

Some synonyms include 1-BUTYL-2,3-DIMETHYLIMIDAZOLIUM TRIFLUOROMETHANESULFONATE and 1-butyl-2,3-dimethylimidazolium triflate.

What is the InChIKey of 1-butyl-2,3-dimethylimidazolium trifluoromethanesulfonate?

The InChIKey is KSOGGGZFEJTGPZ-UHFFFAOYSA-M.

How many hydrogen bond acceptors does 1-butyl-2,3-dimethylimidazolium trifluoromethanesulfonate have?

It has 6 hydrogen bond acceptors.

What is the exact mass of 1-butyl-2,3-dimethylimidazolium trifluoromethanesulfonate?

The exact mass is 302.09119807 g/mol.

How many rotatable bonds does 1-butyl-2,3-dimethylimidazolium trifluoromethanesulfonate have?

It has 3 rotatable bonds.

Which parent compound does 1-butyl-2,3-dimethylimidazolium trifluoromethanesulfonate relate to?

It relates to Trifluoromethanesulfonic acid.

What is the topological polar surface area of 1-butyl-2,3-dimethylimidazolium trifluoromethanesulfonate?

The topological polar surface area is 74.4 Ų.

Is 1-butyl-2,3-dimethylimidazolium trifluoromethanesulfonate a canonicalized compound?

Yes, it is a canonicalized compound.