Description

1-Methyl-3-nitropyrazole (CAS No. 54210-32-1) is a high-purity heterocyclic organic compound with the molecular formula C₄H₅N₃O₂. This nitropyrazole derivative is widely utilized in pharmaceutical research, agrochemical synthesis, and materials science due to its reactive nitro functional group and stable pyrazole backbone. Available in >98% purity (HPLC), it is supplied as a crystalline solid with strict quality control to ensure batch-to-batch consistency. Ideal for nucleophilic substitution reactions, coordination chemistry, and as a precursor for energetic materials. Packaged under inert gas in amber glass vials to ensure stability. SDS and analytical certificates available upon request.

Properties

• CAS Number: 54210-32-1
• Complexity: 121
• IUPAC Name: 1-methyl-3-nitro-pyrazole
• InChI: InChI=1S/C4H5N3O2/c1-6-3-2-4(5-6)7(8)9/h2-3H,1H3
• InChI Key: KLAQNTBUXCCZHC-UHFFFAOYSA-N
• Exact Mass: 127.038176411
• Molecular Formula: C4H5N3O2
• Molecular Weight: 127.10
• SMILES: CN1C=CC(=N1)[N+](=O)[O-]
• Topological: 63.6
• Monoisotopic Mass: 127.038176411
• Synonyms: 1-Methyl-3-nitro-1H-pyrazole, 54210-32-1, 1-Methyl-3-nitropyrazole, DTXSID40202561, DTXCID70125052, 995-412-9, 1H-Pyrazole,1-methyl-3-nitro-(9CI), 1-methyl-3-nitro-pyrazole, 1H-Pyrazole, 1-methyl-3-nitro-, MFCD03444368, 3-Nitro-1-methylpyrazole, SCHEMBL2041463, SCHEMBL2044305, SCHEMBL4184592, SCHEMBL28868986, KLAQNTBUXCCZHC-UHFFFAOYSA-N, 1-Methyl-3-nitro-1H-pyrazole #, ALBB-012575, BBL038293, SBB019459, STK301658, AKOS000307946, AKOS015922239, AB92328, AS-40901, SY041240, DB-407805, ST4148082, CS-0061746, EN300-125844

Application

1-Methyl-3-nitropyrazole serves as a key intermediate in the synthesis of pharmaceutical compounds, particularly for developing kinase inhibitors and antimicrobial agents. Its nitro group enables facile functionalization for heterocyclic diversification in medicinal chemistry. Researchers also employ it as a ligand precursor in catalytic systems and as a building block for high-energy materials in propellant formulations. The compound’s stability makes it suitable for long-term storage in synthetic workflows.

Safety and Hazards

GHS Hazard Statements

• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (100%)
• Acute Tox. 4 (100%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2A (100%)
• Acute Tox. 4 (100%)
• STOT SE 3 (100%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.