1-Methyl-5-nitro-1H-imidazole

Basic Information

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CAS Number

3034-42-2

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

54-57 °C

Boiling Point

328.9°C at 760 mmHg

Density

1.44

Flash Point

152.7℃

Refractive Index

1.618

SMILES

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CN1C=NC=C1[N+](=O)[O-]

InChI

InChI=1S/C4H5N3O2/c1-6-3-5-2-4(6)7(8)9/h2-3H,1H3

InChIKey

JLZXSFPSJJMRIX-UHFFFAOYSA-N

LogP

0.85150

Complexity

122

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

5-23-04-00481 (Beilstein Handbook Reference)
CHEMBL454026
CS-W002392
A820334
5-nitro-1-methylimidazole
J-504972
Imidazole, 1-methyl-5-nitro-
EINECS 221-225-2
AC-28876
1-Methyl-5-nitroimidazole, >97.0% (HPLC)
METHYL-5-NITROIMIDAZOLE, 1-
BRN 0123550
1H-Imidazole, 1-methyl-5-nitro-
LR2H69GV4P
GS-6260
Q27283139
EN300-97223
Z1255415727
SCHEMBL3971243
UNII-LR2H69GV4P
SB36477
1H-Imidazole, 1-methyl-5-nitro-;1-methyl-5-nitro-imidazol;Imidazole, 1-methyl-5-nitro-
1-Methyl-5-nitro-1H-imidazole
SY017081
3034-42-2
MFCD00126968
AKOS000506062
DTXSID10184426
NS00028901
1-methyl-5-nitro-imidazole
FT-0648803

MDL Number

MFCD00126968

Customs Code

2933290090

FAQ

What regulatory guidelines apply to 1-Methyl-5-nitro-1H-imidazole (CAS: 3034-42-2)?

The compound 1-Methyl-5-nitro-1H-imidazole (CAS: 3034-42-2) is classified under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) as a category 2 skin irritant and a category 1 flammable liquid. In the European Union, it must comply with REACH regulations, which require notification and registration of substances above a certain tonnage. It is also subject to FDA and EPA requirements for product safety and environmental impact assessments.

Are there alternatives to 1-Methyl-5-nitro-1H-imidazole (CAS: 3034-42-2) in synthesis?

There are several alternatives to 1-Methyl-5-nitro-1H-imidazole (CAS: 3034-42-2) in synthesis, such as 2-Methyl-5-nitroimidazole and 1-Methylimidazole. These compounds can serve as effective substitutes depending on the specific reaction conditions and desired product. Common alternative reagents include nitro compounds and imidazole derivatives.

What is the market or research trend for 1-Methyl-5-nitro-1H-imidazole (CAS: 3034-42-2)?

The market for 1-Methyl-5-nitro-1H-imidazole (CAS: 3034-42-2) is driven by its applications in pharmaceuticals, agrochemicals, and functional materials. Research trends indicate ongoing exploration of its use in catalysis and as a precursor for the synthesis of bioactive compounds. Recent studies focus on its reactivity and potential in developing more sustainable chemical processes.

How should waste containing 1-Methyl-5-nitro-1H-imidazole (CAS: 3034-42-2) be handled?

Waste containing 1-Methyl-5-nitro-1H-imidazole (CAS: 3034-42-2) should be collected in appropriate containers and stored in a cool, well-ventilated area away from sources of ignition. The waste should be neutralized or treated to reduce its flammability before disposal. Professional waste disposal services should be used for the final disposal, ensuring compliance with local environmental regulations. Proper handling is crucial to prevent hazards and protect the environment.