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

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

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.

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1-Butyl-2,3-dimethylimidazolium chloride

Name: 1-Butyl-2,3-dimethylimidazolium chloride
SKU: ACM98892752-3
Rating: 5 (1 reviews)

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Catalog NumberACM98892752-3

CAS Number98892-75-2

CategoryElectrolytes; Battery Materials

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

Molecular Weight

188.70

Molecular Formula

C9H17ClN2

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

Purity

>98.0%(T)(HPLC)

Appearance

White to Orange to Green powder to crystal

Application

1-Butyl-2,3-dimethylimidazolium chloride serves multiple purposes in various chemical processes. It acts as a solvent for the chemical modification of polysaccharide cellulose, offering a means to alter its properties for various applications. Additionally, this compound is employed as a model ionic liquid in the conversion of monosaccharides, such as fructose, into valuable chemicals like 5-hydroxymethylfurfural, utilizing sulfuric acid as a catalyst. Moreover, it is instrumental in synthesizing specialized compounds like 1-butyl-2,3-dimethylimidazolium dicarba-7,8-nidoundecaborate through its reaction with caesium dicarba-7,8-nido-undecaborate. Furthermore, it contributes to the preparation of mesoporous ZnAl2O4 nanomaterials, which are significant as catalysts or catalyst supports in various chemical reactions.

Storage

Store under inert gas, -20℃

Chemical Formula

BDMIMCl

Complexity

114

Covalently-Bonded Unit Count

Exact Mass

188.108026g/mol

Formal Charge

Hazard Statements

H315 : Causes skin irritation.H319 : Causes serious eye irritation.

Heavy Atom Count

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

Signal Word

Warning

Specific Gravity

1.29

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