3-Methyl-1-octyl-1H-imidazol-3-ium chloride

Basic Information

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CAS Number

64697-40-1

Molecular Formula

C12H23ClN2

Molecular Weight

230.78 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

12°C

Boiling Point

No data available

Density

1.01 g/mL at 20 °C

Water Solubility

Slightly soluble in water.

Flash Point

No data available

Refractive Index

n20/D 1.505-1.515

Vapor Pressure

No data available

SMILES

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CCCCCCCCN1C=C[N+](=C1)C.[Cl-]

InChI

InChI=1S/C12H23N2.ClH/c1-3-4-5-6-7-8-9-14-11-10-13(2)12-14;/h10-12H,3-9H2,1-2H3;1H/q+1;/p-1

InChIKey

OXFBEEDAZHXDHB-UHFFFAOYSA-M

LogP

-0.32290

Complexity

136

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Sensitiveness

Moisture Sensitive

Synonyms & References

English

AKOS015833172
Q-102708
AS-40007
1H-Imidazolium, 1-methyl-3-octyl-, chloride (1:1)
M2062
AKOS015898334
CHEBI:61342
3-methyl-1-octyl-1H-imidazol-3-ium chloride
1-Methyl-3-octylimidazolium chloride
CHEMBL593110
SY033840
Q27131046
1-methyl-3-octyl-1H-imidazol-3-ium chloride
DTXSID5047873
1-octyl-3-methylimidazolium chloride
3-METHYL-1-OCTYLIMIDAZOLIUM CHLORIDE
NSC747264
1H-Imidazolium, 1-methyl-3-octyl-, chloride
1-Methyl-3-n-octylimidazolium Chloride
1-Methyl-3-octylimidazolium chloride, >=97.0% (HPLC)
NSC-747264
C12H23ClN2
SCHEMBL193010
1-methyl-3-octylimidazol-1-ium;chloride
UNII-7R6C755MN6
OXFBEEDAZHXDHB-UHFFFAOYSA-M
3-METHYL-1-OCTYLIMIDAZOLIUM CHLORIDE [OMIm]Cl
1-Methyl-3-octyl-imidazol-3-ium chloride
CS-W012955
CAS-64697-40-1
1-Methyl-3-octylimidazoliumchloride

MDL Number

MFCD03095432

Customs Code

2933290090

FAQ

What are the physical and chemical properties of 3-Methyl-1-octyl-1H-imidazol-3-ium chloride (CAS: 64697-40-1)?

3-Methyl-1-octyl-1H-imidazol-3-ium chloride is a crystalline solid with a molecular weight of approximately 254.32 g/mol. It has a high solubility in water and organic solvents. Chemically, it is stable under normal conditions but can react with strong acids and bases. It is typically used in pharmaceutical and chemical applications.

How is 3-Methyl-1-octyl-1H-imidazol-3-ium chloride (CAS: 64697-40-1) typically synthesized?

3-Methyl-1-octyl-1H-imidazol-3-ium chloride is synthesized through the reaction of 3-methyl-1-octylimidazole with hydrochloric acid. The process involves heating the imidazole to promote the protonation, followed by cooling and crystallization. Yields are generally high, and the product is obtained as a white crystalline solid.

What industries use 3-Methyl-1-octyl-1H-imidazol-3-ium chloride (CAS: 64697-40-1)?

3-Methyl-1-octyl-1H-imidazol-3-ium chloride is primarily used in the pharmaceutical industry for its antifungal and antimicrobial properties. It is also utilized in polymer chemistry, sensors, and as a precursor in semiconductor manufacturing.

What precautions should be taken when handling 3-Methyl-1-octyl-1H-imidazol-3-ium chloride (CAS: 64697-40-1)?

When handling 3-Methyl-1-octyl-1H-imidazol-3-ium chloride, it is recommended to wear personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood. In case of spills, immediately clean up with appropriate absorbent materials and dispose of according to local regulations. Refer to the Safety Data Sheet (SDS) for detailed handling instructions.