5-Methyl-1H-imidazole-4-carbaldehyde

Basic Information

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CAS Number

68282-53-1

Molecular Formula

C5H6N2O

Molecular Weight

110.12 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Aldehydes

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Melting Point

168-170 °C

Boiling Point

362.8±22.0 °C at 760 mmHg

Density

1.2±0.1 g/cm3

Water Solubility

Soluble in water, (23 g/L) (25°C).

Flash Point

176.9℃

Refractive Index

1.598

Vapor Pressure

0.0±0.8 mmHg at 25°C

SMILES

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CC1=C(N=CN1)C=O

InChI

InChI=1S/C5H6N2O/c1-4-5(2-8)7-3-6-4/h2-3H,1H3,(H,6,7)

InChIKey

KMWCSNCNHSEXIF-UHFFFAOYSA-N

LogP

0.5306199999999999

Topological Polar Surface Area

45.75 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

94.4

Safety Information

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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

Air Sensitive

Synonyms & References

English

5-methyl-imidazole-4-carboxaldehyde
AC-33913
CS-W007954
PS-4596
68282-53-1
4-Methyl-5-imidazolecarboxaldehyde, 99%
4-Methyl-1H-imidazole-5-carbaldehyde
FT-0618986
4-Methyl-1H-imidazole-5-carboxaldehyde
AKOS006223975
5-methyl-4-imidazole-carbaldehyde
AKOS015842370
4-Methyl-5-imidazolecarboxaldehyde
MFCD00173728
5-Methyl-1H-imidazole-4-carbaldehyde
4-methyl-5-imidazol carboxaldehyde
1H-Imidazole-4-carboxaldehyde, 5-methyl-
EN300-65152
Z2686040987
SCHEMBL632905
SY017270
KMWCSNCNHSEXIF-UHFFFAOYSA-N
STR04049
4-Methylimidazole-5-carboxaldehyde
AM804227
4-methylimidazole-5-carbaldehyde
5-Methylimidazole-4-carboxaldehyde
5-methyl-3H-imidazole-4-carbaldehyde
5-methyl-4-imidazolecarboxaldehyde
4-Methyl-5-imidazole carboxaldehyde
5-methyl-3H-imidazole4-carbaldehyde

MDL Number

MFCD00173728

Customs Code

2933290090

FAQ

What is 5-Methyl-1H-imidazole-4-carbaldehyde (CAS: 68282-53-1)?

5-Methyl-1H-imidazole-4-carbaldehyde, also known as 5-Methylimidazole-4-carbaldehyde, is a chemical compound with the CAS number 68282-53-1. It is a solid with a characteristic odor and appears as a white or off-white crystalline powder. This compound has a molecular formula of C6H5NO and a molecular weight of approximately 103.11 g/mol. It is used in various applications including pharmaceuticals, as a reagent in chemical synthesis, and as a flavoring agent in some food products.

What are the main uses of 5-Methyl-1H-imidazole-4-carbaldehyde (CAS: 68282-53-1)?

5-Methyl-1H-imidazole-4-carbaldehyde (CAS: 68282-53-1) is primarily used in the pharmaceutical industry for the synthesis of other compounds and as a reagent in chemical reactions. It is also used in food technology as a flavoring agent, particularly in the production of certain beverages and confectionery. Additionally, it is utilized in research as a standard compound in analytical chemistry and as a precursor in the synthesis of organic compounds.

Is 5-Methyl-1H-imidazole-4-carbaldehyde (CAS: 68282-53-1) safe?

5-Methyl-1H-imidazole-4-carbaldehyde (CAS: 68282-53-1) is considered safe when used under appropriate conditions. However, it is important to follow safety guidelines, including wearing protective clothing and handling with care to avoid skin contact and inhalation. Ingestion should be avoided, and it is advisable to keep it away from heat and open flames. Proper ventilation is recommended during use. For more specific safety information, consult the Material Safety Data Sheet (MSDS).

How should 5-Methyl-1H-imidazole-4-carbaldehyde (CAS: 68282-53-1) be stored?

5-Methyl-1H-imidazole-4-carbaldehyde (CAS: 68282-53-1) should be stored in a cool, dry place, away from direct sunlight and sources of heat or flame. It is best to keep it in a tightly sealed container, preferably made of glass or a suitable plastic that does not react with the compound. Avoid storing it near incompatible materials such as oxidizing agents or acids. The storage area should have good ventilation to prevent the accumulation of flammable vapors. It is recommended to store it at a temperature below 25°C to maintain its stability.