5-Methyl-1H-imidazole

Basic Information

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CAS Number

822-36-6

Molecular Formula

C4H6N2

Molecular Weight

82.11 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Melting Point

44-47 °C

Boiling Point

263 °C

Density

1.02

Water Solubility

Soluble in water.

Solubility

H2O: soluble, clear, colorless to yellow (50 mg/mL)

Refractive Index

1.5037

SMILES

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CC1=CN=CN1

InChI

InChI=1S/C4H6N2/c1-4-2-5-3-6-4/h2-3H,1H3,(H,5,6)

InChIKey

XLSZMDLNRCVEIJ-UHFFFAOYSA-N

LogP

0.7181199999999999

Topological Polar Surface Area

28.68 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

44.8

Safety Information

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GHS Hazard Pictograms

H302

H312

H314

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H312 Harmful in contact with skin
Acute toxicity, dermal

H314 Causes severe skin burns and eye damage
Skin corrosion/irritation

Hazard Class

Class 8 Class 8

Sensitiveness

易吸潮, sensitive to air

Synonyms & References

English

ethanethioic acid, S-3-furanyl ester
1H-Imidazole, 5-methyl-
DTXSID9025617
4-methyl-1(3)H-imidazole
DB03385
4MZ
AL-398/25017073
SMR000568466
NSC 40744-d3
1H-Imidazole, 4-methyl-
4(5)-Methylimidazole, 98%
IMIDAZOLE, 4-METHYL-
CAS-822-36-6
4(or 5)-Methylimidazole
4(5)-Methylimidazole
UNII-Q64GF9FV4I
4-Methyl-d3-imidazole
5-Methyl-1H-imidazole
NSC 40744
5-Methylimidazole
MLS001065586
AMY23279
FT-0619088
CHEBI:40035
NCGC00091437-02
C19262
Z1945707502
4-METHYLIMIDAZOLE [HSDB]
NCGC00258601-01
NS00010164
4-methyl-1-H-imidazole

MDL Number

MFCD01074774

Customs Code

2933290090

FAQ

What is 5-Methyl-1H-imidazole (CAS: 822-36-6)?

5-Methyl-1H-imidazole (CAS: 822-36-6) is a heterocyclic organic compound with the chemical formula C4H6N2. It features an imidazole ring substituted with a methyl group at the 5th position, making it a versatile intermediate in chemical synthesis. The compound is typically a white solid with a pungent odor, known for its stability under normal conditions and resistance to hydrolysis.

What are the main uses of 5-Methyl-1H-imidazole (CAS: 822-36-6)?

5-Methyl-1H-imidazole (CAS: 822-36-6) is widely used in pharmaceuticals as a precursor for antifungal and antiviral drugs. It also serves in industrial applications for polymer synthesis and as a reagent in organic chemistry. In research, it is employed in the development of agrochemicals and functional materials. Its unique structure makes it valuable for creating derivatives with specific biological or chemical properties.

Is 5-Methyl-1H-imidazole (CAS: 822-36-6) safe?

5-Methyl-1H-imidazole (CAS: 822-36-6) requires careful handling due to potential health risks. It may cause skin and eye irritation, and inhalation could lead to respiratory issues. Safety data sheets (SDS) recommend using appropriate PPE, such as gloves and safety goggles, and working in a well-ventilated area. Always follow established safety protocols to minimize exposure and ensure compliance with regulatory standards.

How should 5-Methyl-1H-imidazole (CAS: 822-36-6) be stored?

5-Methyl-1H-imidazole (CAS: 822-36-6) should be stored in a cool, dry place (ideally below 25°C), away from light and moisture. Keep it in a tightly sealed container to prevent degradation. Avoid exposure to air and heat, and ensure storage conditions maintain its stability. Always store in a well-ventilated area to reduce risk of vapor accumulation.