3-Butyl-1,2-dimethyl-1H-imidazol-3-ium chloride

Basic Information

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CAS Number

98892-75-2

Molecular Formula

C9H17ClN2

Molecular Weight

188.7 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

98.0 to 102.0 deg-C

SMILES

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CCCCN1C=C[N+](=C1C)C.[Cl-]

InChI

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

InChIKey

HHHYPTORQNESCU-UHFFFAOYSA-M

LogP

-1.57490

Complexity

114

Safety Information

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Hazard Statement

H317 May cause an allergic skin reaction
Sensitization, Skin

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Sensitiveness

对湿度敏感

Synonyms & References

English

BS-18284
Q-102690
1H-Imidazolium, 3-butyl-1,2-dimethyl-, chloride
ZB1647
HHHYPTORQNESCU-UHFFFAOYSA-M
Tox21_200583
C9H17ClN2
CS-W015981
NCGC00258137-01
3-Butyl-1,2-dimethyl-1H-imidazol-3-ium chloride
DTXSID5047906
A858509
98892-75-2
CAS-98892-75-2
D70995
MFCD03093291
NC9L7U4YVR
1-butyl-2,3-dime-thylimidazolium chloride
B2473
SY057922
1-Butyl-2,3-dimethyl-3-imidazolium Chloride
DTXCID2027882
starbld0020882
AKOS015833151
1-butyl-2,3-dimethylimidazol-3-ium;chloride
1-Butyl-2,3-dimethylimidazolium chloride
CHEMBL3183802
1H-Imidazolium, 3-butyl-1,2-dimethyl-, chloride (1:1)
1-Butyl-2,3-dimethyl-1H-imidazol-3-ium chloride
SCHEMBL192472
1-butyl-2,3-methylimidazolium chloride

MDL Number

MFCD03093291

Customs Code

2933290090

FAQ

What are the physical and chemical properties of 3-Butyl-1,2-dimethyl-1H-imidazol-3-ium chloride (CAS: 98892-75-2)?

3-Butyl-1,2-dimethyl-1H-imidazol-3-ium chloride is a white crystalline solid with a molecular weight of approximately 221.32 g/mol. It is sparingly soluble in water and ethanol. This compound exhibits good thermal stability and moderate basicity. It is reactive towards acidic compounds and can be used in various synthetic reactions.

How is 3-Butyl-1,2-dimethyl-1H-imidazol-3-ium chloride (CAS: 98892-75-2) typically synthesized?

3-Butyl-1,2-dimethyl-1H-imidazol-3-ium chloride can be synthesized by reacting 3-butyl-1,2-dimethyl-1H-imidazol-3-amine with hydrochloric acid. Commonly used conditions include refluxing the mixture in an inert solvent like methanol or ethanol at elevated temperatures. The yield is typically around 75-80%, and the product can be isolated by filtration and recrystallization.

What industries use 3-Butyl-1,2-dimethyl-1H-imidazol-3-ium chloride (CAS: 98892-75-2)?

3-Butyl-1,2-dimethyl-1H-imidazol-3-ium chloride is utilized in the pharmaceutical industry for its cationic structure, which can be used in the synthesis of drug intermediates. It also finds applications in the semiconductor industry as a dopant material, and in the field of chemical sensors due to its reactivity and stability.

What precautions should be taken when handling 3-Butyl-1,2-dimethyl-1H-imidazol-3-ium chloride (CAS: 98892-75-2)?

When handling 3-Butyl-1,2-dimethyl-1H-imidazol-3-ium chloride, use appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. Work in a well-ventilated area or a fume hood to minimize inhalation exposure. Spills should be handled with caution using appropriate absorbent materials. Refer to the safety data sheet (SDS) for detailed information on proper handling and emergency procedures.