1-butylsulfonic-3-methylimidazolium hydrogensulfate

• CAS: 827320-59-2
• Catalog Number: ACM827320592
• Category: Functionized Ionic Liquids
• Molecular Weight: 316.35184
• Molecular Formula: C8H16N2S2O7
• IUPAC Name: hydrogen sulfate;4-(3-methylimidazol-3-ium-1-yl)butane-1-sulfonic acid
• Canonical SMILES: C[N+]1=CN(C=C1)CCCCS(=O)(=O)O.OS(=O)(=O)[O-]
• InChI: InChI=1S/C8H14N2O3S.H₂O4S/c1-9-5-6-10(8-9)4-2-3-7-14(11,12)13;1-5(2,3)4/h5-6,8H,2-4,7H2,1H3;(H2,1,2,3,4)
• InChI Key: IEKJIBPFXKAASL-UHFFFAOYSA-N
• Application: Metal Plating, Electropolishing, Metal Reprocessing, Phase transfer media, Batteries Fuel Cells, Nanomaterials, Industrial Solvents, Nuclear Fuel Red Waste, Enzymatic Catalysis, Lubricants Heat Transfer and Solar Energy Conversion.
• Abbreviation: BSO3HMIM HSO4
• Chemical Formula: BSO3HMIM HSO4
• Complexity: 336
• Covalently-Bonded Unit Count: 2
• Exact Mass: 316.039893g/mol
• Formal Charge: 0
• H-Bond Acceptor: 7
• H-Bond Donor: 2
• Heavy Atom Count: 19
• MDL Number: MFCD22372068
• Monoisotopic Mass: 316.039893g/mol
• Rotatable Bond Count: 5

Custom Q&A

What is the molecular formula of 1-butylsulfonic-3-methylimidazolium hydrogensulfate?

The molecular formula is C8H16N2O7S2.

When was this compound created and last modified?

It was created on 2006-10-26 and last modified on 2023-12-30.

What are some synonyms for 1-butylsulfonic-3-methylimidazolium hydrogensulfate?

Some synonyms include 827320-59-2, 3-Methyl-1-(4-sulfobutyl)-1H-imidazol-3-ium hydrogensulfate, and hydrogen sulfate;4-(3-methylimidazol-3-ium-1-yl)butane-1-sulfonic acid.

What is the molecular weight of this compound?

The molecular weight is 316.4 g/mol.

What is the IUPAC Name of this compound?

The IUPAC Name is hydrogen sulfate;4-(3-methylimidazol-3-ium-1-yl)butane-1-sulfonic acid.

What is the InChIKey of this compound?

The InChIKey is IEKJIBPFXKAASL-UHFFFAOYSA-N.

How many hydrogen bond donor counts does this compound have?

It has 2 hydrogen bond donor counts.

What is the exact mass of this compound?

The exact mass is 316.03989320 g/mol.

How many rotatable bond counts does this compound have?

It has 5 rotatable bond counts.

Is the compound canonicalized?

Yes, the compound is canonicalized.

Synthetic Use

Upstream Synthesis Route 1

• 616-47-7
• 1633-83-6

• 827320-59-2

Reference: [1]RSC Advances,2014,vol. 4,p. 1 - 7

Downstream Synthesis Route 1

• 827320-59-2

• 1333169-86-0

Reference: [1]Chemistry Letters,2011,vol. 40,p. 396 - 397

* For details of the synthesis route, please refer to the original source to ensure accuracy.