CAS 3994-50-1

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

Description:

1-Methyl-4-nitro-1H-pyrazole is an organic compound characterized by its pyrazole ring structure, which is a five-membered ring containing two adjacent nitrogen atoms. This compound features a methyl group at the 1-position and a nitro group at the 4-position of the pyrazole ring, contributing to its chemical reactivity and properties. It is typically a crystalline solid and is soluble in organic solvents. The presence of the nitro group imparts significant polarity and can influence the compound's reactivity, making it useful in various chemical syntheses and applications. 1-Methyl-4-nitro-1H-pyrazole may exhibit biological activity, which has led to its investigation in medicinal chemistry. Its CAS number, 3994-50-1, is a unique identifier that facilitates the identification and study of this compound in scientific literature and databases. As with many nitro-containing compounds, it is essential to handle it with care due to potential toxicity and environmental concerns.

Formula: C₄H₅N₃O₂

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

InChI key: InChIKey=CZVJIVYLYOVBRP-UHFFFAOYSA-N

SMILES: N(=O)(=O)C1=CN(C)N=C1

Synonyms:

• 1-Methyl-4-Nitropyrazole
• 1H-Pyrazole, 1-methyl-4-nitro-
• Pyrazole, 1-methyl-4-nitro-
• 1-Methyl-4-nitro-1H-pyrazole
• 1-Methyl-4-nitro-1H-pyrazole

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

CAS: 3994-50-1

Formula: C₄H₅N₃O₂

Purity: 98%

Color and Shape: Solid

Molecular weight: 127.1014

Ref: IN-DA003EI5

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

CAS: 3994-50-1

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

Purity: 98%

Color and Shape: Solid

Molecular weight: 127.10g/mol

Ref: 54-OR302024

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

CAS: 3994-50-1

Formula: C₄H₅N₃O₂

Purity: 98%

Color and Shape: Solid

Molecular weight: 127.103

Ref: 10-F025878

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

CAS: 3994-50-1

1-Methyl-4-nitro-1H-pyrazole is a molecule with the chemical formula CH3N2O. It has been used as an activator for the polymerization of acrylonitrile, and as a precursor to pharmaceuticals such as nitroglycerin. 1-Methyl-4-nitro-1H-pyrazole has been shown to be highly reactive toward nucleophiles and bases, but only slightly reactive with oxidizing agents. The compound crystallizes spontaneously from acetonitrile solution at −5 °C. Solubility data shows that 1-methyl-4-nitro-1H pyrazole is soluble in methanol, ethanol, acetone and ethyl acetate. Thermodynamic properties show that the compound exists in equilibrium with its own dimer (CH3N2O2) at 298 K.
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Formula: C₄H₅N₃O₂

Purity: Min. 95%

Molecular weight: 127.1 g/mol

Ref: 3D-DAA99450