1-Allyl-3-methyl-1H-imidazol-3-ium chloride

Basic Information

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CAS Number

65039-10-3

Molecular Formula

C7H11ClN2

Molecular Weight

158.63 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

55 ºC

Refractive Index

1.540 (50 ºC)

SMILES

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C[N+]1=CN(C=C1)CC=C.[Cl-]

InChI

InChI=1S/C7H11N2.ClH/c1-3-4-9-6-5-8(2)7-9;/h3,5-7H,1,4H2,2H3;1H/q+1;/p-1

InChIKey

QVRCRKLLQYOIKY-UHFFFAOYSA-M

LogP

-2.49740

Complexity

101

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

CHEMBL3182257
1-Allyl-3-methylimidazolium chloride, >=97.0% (HPLC)
CS-W010889
DTXCID3027904
D70915
1-Allyl-3-methyl-3-imidazoliumChloride
SY067067
1-methyl-3-prop-2-enylimidazol-1-ium;chloride
Tox21_200605
AKOS015898335
3-methyl-1-(prop-2-en-1-yl)-1H-imidazol-3-ium chloride
1-Allyl-3-methylimidazol-3-ium chloride
MFCD07784450
1-methyl-3-allylimidazolium chloride
1-Allyl-3-methylimidazolium chloride
Q-102668
AMIMCl
DTXSID3047928
1-Allyl-3-methyl-1H-imidazol-3-ium chloride
ZB1684
SCHEMBL59756
1-Allyl-3-methyl-3-imidazolium Chloride
AMIM-Cl
AS-65725
CAS-65039-10-3
NCGC00258159-01
65039-10-3
1-methyl-3-prop-2-enylimidazol-1-ium,chloride
1-Ally-3-methylimidazolium chloride
1-ALLYL-3-METHYLIMIDAZOLIUMCHLORIDE
DSSTox_CID_27904

MDL Number

MFCD07784450

Customs Code

2933290090

FAQ

What are the physical and chemical properties of 1-Allyl-3-methyl-1H-imidazol-3-ium chloride (CAS: 65039-10-3)?

1-Allyl-3-methyl-1H-imidazol-3-ium chloride is a crystalline solid with a molecular weight of approximately 163.24 g/mol. It has a low solubility in water and high solubility in organic solvents. It exhibits basic behavior and is reactive towards acidic compounds. This compound is stable under normal laboratory conditions but should be stored in a dry, cool place to prevent degradation.

How is 1-Allyl-3-methyl-1H-imidazol-3-ium chloride (CAS: 65039-10-3) typically synthesized?

1-Allyl-3-methyl-1H-imidazol-3-ium chloride is commonly synthesized by reacting 1-methylimidazole with allyl chloride in the presence of a base like sodium hydride. The reaction is typically carried out in an inert organic solvent like THF. The yield is around 70-80%, and the reaction is known for its high selectivity.

What industries use 1-Allyl-3-methyl-1H-imidazol-3-ium chloride (CAS: 65039-10-3)?

1-Allyl-3-methyl-1H-imidazol-3-ium chloride finds applications in the pharmaceutical industry for synthesizing certain drugs, and in the semiconductor industry for use as a dopant. It is also utilized in the sensor industry for developing gas detection devices due to its sensitivity to specific gases.

What precautions should be taken when handling 1-Allyl-3-methyl-1H-imidazol-3-ium chloride (CAS: 65039-10-3)?

When handling 1-Allyl-3-methyl-1H-imidazol-3-ium chloride, it is essential to wear appropriate personal protective equipment (PPE), including gloves and safety glasses. The compound should be stored in a cool, dry place, away from sources of heat and ignition. In the event of a spill, it should be handled in a fume hood, and proper spill clean-up procedures should be followed. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal information.