1-Butyl-2,3-dimethylimidazolium chloride

• CAS: 98892-75-2
• Catalog Number: ACM98892752
• Category: Imidazolium Ionic Liquids
• Molecular Weight: 188.70
• Molecular Formula: C9H17ClN2
• Description: 1-Butyl-2,3-dimethylimidazolium chloride can be used as a solvent in the chemical modification of polysaccharide cellulose. It also can be used to prepare mesoporous ZnAl2O4 nanomaterials, which are used as catalysts or catalyst supports.
• IUPAC Name: 1-butyl-2,3-dimethylimidazol-3-ium;chloride
• Canonical SMILES: CCCCN1C=C[N+](=C1C)C.[Cl-]
• InChI: 1S/C9H17N2.ClH/c1-4-5-6-11-8-7-10(3)9(11)2;/h7-8H,4-6H2,1-3H3;1H/q+1;/p-1
• InChI Key: HHHYPTORQNESCU-UHFFFAOYSA-M
• Melting Point: 99 °C
• Flash Point: Not applicable
• Appearance: White to Orange to Green powder to crystal
• Storage: Store under inert gas, -20℃
• Abbreviation: BDMIMCl
• Chemical Formula: BDMIMCl
• Complexity: 114
• Condition To Avoid: Hygroscopic
• Covalently-Bonded Unit Count: 2
• Exact Mass: 188.108026g/mol
• Formal Charge: 0
• Hazard Statements: H315 : Causes skin irritation.H319 : Causes serious eye irritation.
• H-Bond Acceptor: 1
• H-Bond Donor: 0
• Heavy Atom Count: 12
• MDL Number: MFCD03093291
• Monoisotopic Mass: 188.108026g/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: n20/D 1.578
• Rotatable Bond Count: 3
• Signal Word: Warning
• Specific Gravity: 1.29

Custom Q&A

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

The molecular formula is C9H17ClN2.

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

The molecular weight is 188.70 g/mol.

When was 1-butyl-2,3-dimethylimidazolium chloride created and modified in PubChem?

It was created on 2005-07-19 and last modified on 2023-12-30.

What is the IUPAC name of 1-butyl-2,3-dimethylimidazolium chloride?

The IUPAC name is 1-butyl-2,3-dimethylimidazol-3-ium;chloride.

What is the InChI of 1-butyl-2,3-dimethylimidazolium chloride?

The InChI is InChI=1S/C9H17N2.ClH/c1-4-5-6-11-8-7-10(3)9(11)2;/h7-8H,4-6H2,1-3H3;1H/q+1;/p-1.

What is the Canonical SMILES representation of 1-butyl-2,3-dimethylimidazolium chloride?

The Canonical SMILES is CCCCN1C=C[N+](=C1C)C.[Cl-].

What is the CAS number of 1-butyl-2,3-dimethylimidazolium chloride?

The CAS number is 98892-75-2.

How many hydrogen bond donor counts does 1-butyl-2,3-dimethylimidazolium chloride have?

It has 0 hydrogen bond donor counts.

How many rotatable bond counts does 1-butyl-2,3-dimethylimidazolium chloride have?

It has 3 rotatable bond counts.

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

Yes, it is a canonicalized compound.