1-Methyl-4-nitro-1H-pyrazole

Basic Information

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CAS Number

3994-50-1

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

Boiling Point

244 ºC

Flash Point

102 ºC

SMILES

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Cn1cc(cn1)[N+](=O)[O-]

InChI

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

InChIKey

CZVJIVYLYOVBRP-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

1-Methyl-4-nitro-1H-pyrazole
1-METHYL-4-NITROPYRAZOLE
1-Methyl-2-hydroxymethyl-pyrrolidin
1-methyl-3-hydroxymethylpyrrolidine
1-Methyl-4-nitropyrazol
3-Pyrrolidinemethanol,1-methyl
4-nitro-1-methylpyrazole
methyl-1 methanol-3 pyrrolidine
methyl-1 nitro-4 pyrazole
1H-Pyrazole, 1-methyl-4-nitro-
PYRAZOLE, 1-METHYL-4-NITRO-
CZVJIVYLYOVBRP-UHFFFAOYSA-N
1-Methyl-4-nitro-1H-pyrazole, AldrichCPR
1-methyl-4-nitro-pyrazole
1-Methyl-4-nitro-1H-pyrazole #
BCP29818
SBB019276
BBL013865
STK298892
SY005889
1-methyl-4-nitro-1H-pyrazole

MDL Number

MFCD00464261

Customs Code

2933199090

FAQ

What is 1-Methyl-4-nitro-1H-pyrazole (CAS: 3994-50-1)?

1-Methyl-4-nitro-1H-pyrazole (CAS: 3994-50-1) is an organic compound with the molecular formula C5H5N2O2. It is a pyrazole derivative featuring a methyl substituent at the 1-position and a nitro group at the 4-position. This compound is highly reactive and is used in organic synthesis and pharmaceuticals due to its functional groups.

What are the main uses of 1-Methyl-4-nitro-1H-pyrazole (CAS: 3994-50-1)?

1-Methyl-4-nitro-1H-pyrazole (CAS: 3994-50-1) is primarily used in the synthesis of other compounds, particularly in the production of pharmaceuticals and agrochemicals. It serves as a starting material in organic synthesis due to its functional groups, enabling the formation of various heterocyclic and aromatic compounds.

Is 1-Methyl-4-nitro-1H-pyrazole (CAS: 3994-50-1) safe?

1-Methyl-4-nitro-1H-pyrazole (CAS: 3994-50-1) is generally safe when handled with appropriate precautions. However, it is a reactive compound and can be toxic if ingested or inhaled. Users should wear gloves and protective eyewear, and work in a well-ventilated area. Avoid contact with skin and eyes, and dispose of waste materials properly according to local regulations.

How should 1-Methyl-4-nitro-1H-pyrazole (CAS: 3994-50-1) be stored?

1-Methyl-4-nitro-1H-pyrazole (CAS: 3994-50-1) should be stored in a cool, dry, and well-ventilated area. Keep it away from heat, moisture, and direct sunlight. Store it in a tightly sealed container to prevent moisture absorption. Ensure proper labeling and maintain good inventory control to prevent misuse and unauthorized access.