1-Hexyl-3-methyl-1H-imidazol-3-ium bromide

Basic Information

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CAS Number

85100-78-3

Molecular Formula

C10H19BrN2

Molecular Weight

247.18 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

Boiling Point

395°C/6mmHg

Density

1.23

Refractive Index

1.532-1.534

SMILES

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C[N+]1=CN(CCCCCC)C=C1.[Br-]

InChI

InChI=1S/C10H19N2.BrH/c1-3-4-5-6-7-12-9-8-11(2)10-12;/h8-10H,3-7H2,1-2H3;1H/q+1;/p-1

InChIKey

BGSUDDILQRFOKZ-UHFFFAOYSA-M

LogP

-1.10310

Complexity

114

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

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

Synonyms & References

English

1H-Imidazolium,3-hexyl-1-methyl-, bromide (1:1)
[HMIM] Br
1-Hexyl-3-methylimidazolium Bromide
1-hexyl-3-methylimidazol-3-ium,bromide
2-Hydroxy-6-Methyl-3-nitropyridine
1-HEXYL-3-METHYLIMIDAZOLIUMBROMIDE
DSSTox_RID_82654
DSSTox_CID_27901
DSSTox_GSID_47925
KSC495S7R
C10H19N2.Br
BGSUDDILQRFOKZ-UHFFFAOYSA-M
1-methyl-3-hexylimidazolium bromide
Tox21_200602
5131AJ
SY023280
AK176000
AB1010978

MDL Number

MFCD03427612

Customs Code

2933290090

FAQ

What are the physical and chemical properties of 1-Hexyl-3-methyl-1H-imidazol-3-ium bromide (CAS: 85100-78-3)?

1-Hexyl-3-methyl-1H-imidazol-3-ium bromide is a solid with a crystalline form. The molecular weight is approximately 237.22 g/mol. It has a low solubility in water but is more soluble in organic solvents. The compound shows moderate reactivity with weak bases and is stable under normal conditions. It is commonly used in various applications due to its unique chemical properties.

How is 1-Hexyl-3-methyl-1H-imidazol-3-ium bromide (CAS: 85100-78-3) typically synthesized?

1-Hexyl-3-methyl-1H-imidazol-3-ium bromide is typically synthesized by the reaction of 3-bromobenzimidazole with hexylamine. The reaction is conducted in an aqueous medium with an appropriate base to enhance the nucleophilicity of the hexylamine. The yield is generally around 75-80%, and the purity is improved through recrystallization from ethanol.

What industries use 1-Hexyl-3-methyl-1H-imidazol-3-ium bromide (CAS: 85100-78-3)?

1-Hexyl-3-methyl-1H-imidazol-3-ium bromide finds applications in industries such as pharmaceuticals, where it is used as a precursor in the synthesis of biologically active compounds. It is also utilized in polymer science for the modification of polymer properties, in sensor technology for the development of gas sensors, and in semiconductor manufacturing for certain etching processes.

What precautions should be taken when handling 1-Hexyl-3-methyl-1H-imidazol-3-ium bromide (CAS: 85100-78-3)?

When handling 1-Hexyl-3-methyl-1H-imidazol-3-ium bromide, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. It should be stored in a cool, dry place away from direct sunlight and heat sources. In case of spills, use appropriate absorbents and dispose of the waste according to local regulations. Always consult the Safety Data Sheet (SDS) for detailed safety information.