2-Methyl-4-nitro-1H-imidazole

Basic Information

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CAS Number

696-23-1

Molecular Formula

C4H5N3O2

Molecular Weight

127.1 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

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

251.0 to 255.0 deg-C

Boiling Point

572.1°C at 760 mmHg

Density

1.4748 (rough estimate)

Refractive Index

1.5000 (estimate)

SMILES

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CC1=NC=C(N1)[N+](=O)[O-]

InChI

InChI=1S/C4H5N3O2/c1-3-5-2-4(6-3)7(8)9/h2H,1H3,(H,5,6)

InChIKey

FFYTTYVSDVWNMY-UHFFFAOYSA-N

LogP

1.14950

Complexity

122

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Stability

Stable. Incompatible with strong oxidizing agents.

Synonyms & References

English

Imidazole, 2-methyl-4-nitro-
Q27253838
MFCD00005191
CHEMBL134454
2-Methyl-4(5)-nitroimidazole, 99%
24AG2WW15W
2-Methyl-4(5)nitroimidazole
FT-0612958
AKOS000266160
RP-8532
2-METHYL-4-NITRO-1H-IMIDAZOLE
AC-10807
100215-29-0
Z1245636358
BCP32918
FFYTTYVSDVWNMY-UHFFFAOYSA-
SR-01000945053
CHEBI:181956
MLS006011386
Metronidazole impurity A, European Pharmacopoeia (EP) Reference Standard
2-Methyl-4(5)-nitroimidazole
1H-Imidazole, 2-methyl-5-nitro-
2-methyl -5-nitroimidazole
SMR004703227
Imidazole, 2-methyl-4(or 5)-nitro-
EN300-21470
UNII-24AG2WW15W
Menidazole
5-nitro-2-methylimidazole
AS-10894
2-Methyl-5-nitroimidazole, British Pharmacopoeia (BP) Reference Standard

MDL Number

MFCD00151322

FAQ

What are the physical and chemical properties of 2-Methyl-4-nitro-1H-imidazole (CAS: 696-23-1)?

2-Methyl-4-nitro-1H-imidazole is a crystalline solid with a molecular weight of approximately 168.11 g/mol. It is slightly soluble in water and soluble in organic solvents like ethanol and acetone. It is moderately reactive, particularly towards reducing agents and bases. The compound has a pKa of around 3.5, indicating its basic nature.

How is 2-Methyl-4-nitro-1H-imidazole (CAS: 696-23-1) typically synthesized?

2-Methyl-4-nitro-1H-imidazole is typically synthesized through the nitration of 2-methylimidazole. This process involves the reaction of 2-methylimidazole with nitric acid in the presence of a catalyst like sulfuric acid. The yield can be improved by optimizing the temperature and concentration of the reactants.

What industries use 2-Methyl-4-nitro-1H-imidazole (CAS: 696-23-1)?

2-Methyl-4-nitro-1H-imidazole is used in various industries, including pharmaceuticals for its potential as a bronchodilator, and in the synthesis of dyes and pigments. It is also utilized in the production of certain agricultural chemicals and in research for its reactivity in organic synthesis.

What precautions should be taken when handling 2-Methyl-4-nitro-1H-imidazole (CAS: 696-23-1)?

When handling 2-Methyl-4-nitro-1H-imidazole, it is essential to wear appropriate personal protective equipment (PPE), including gloves, safety goggles, and a lab coat. Work should be conducted in a fume hood to avoid inhalation and skin contact. Spills should be cleaned up with caution using appropriate absorbents and disposal methods. Always consult the Material Safety Data Sheet (MSDS) for detailed safety information.