Description

3-Ethoxy-4-nitro-1H-pyrazole (CAS No. 400878-03-7) is a high-purity nitro-substituted pyrazole derivative with the molecular formula C₅H₇N₃O₃. This heterocyclic compound is characterized by its ethoxy and nitro functional groups, making it a valuable intermediate in organic synthesis and pharmaceutical research. With an IUPAC name of 5-ethoxy-4-nitro-1H-pyrazole, it is supplied as a fine crystalline powder with ≥95% purity (HPLC). Ideal for researchers in medicinal chemistry, this compound is rigorously tested for quality, stability, and consistency. Store in a cool, dry place under inert conditions to maintain integrity. Available in customizable quantities for lab-scale to bulk applications.

Properties

• CAS Number: 400878-03-7
• Complexity: 146
• IUPAC Name: 5-ethoxy-4-nitro-1H-pyrazole
• InChI: InChI=1S/C5H7N3O3/c1-2-11-5-4(8(9)10)3-6-7-5/h3H,2H2,1H3,(H,6,7)
• InChI Key: PFGDUBXKJBQGRB-UHFFFAOYSA-N
• Exact Mass: 157.04874109
• Molecular Formula: C5H7N3O3
• Molecular Weight: 157.13
• SMILES: CCOC1=C(C=NN1)[N+](=O)[O-]
• Topological: 83.7
• Monoisotopic Mass: 157.04874109
• Synonyms: 3-Ethoxy-4-nitro-1H-pyrazole, 400878-03-7, 5-ethoxy-4-nitro-1H-pyrazole, DTXSID601309073, DTXCID901738966, 835-445-7, 1H-Pyrazole,3-ethoxy-4-nitro-(9CI), 5-ethoxy-4-nitropyrazole, MFCD18809481, 1H-pyrazole, 3-ethoxy-4-nitro-, SCHEMBL18418863, ALBB-021494, BBL104307, SBB019856, STK301827, AKOS000304524, AKOS015921885, AKOS015997820, LS-06455, DB-279469, CS-0299538, ST45061713, E71910, EN300-227927

Application

3-Ethoxy-4-nitro-1H-pyrazole serves as a versatile building block in the synthesis of bioactive molecules, particularly in the development of pyrazole-based pharmaceuticals. Its nitro group enables facile functionalization via reduction or nucleophilic substitution reactions. Researchers utilize this compound in heterocyclic chemistry for designing enzyme inhibitors or agrochemical intermediates. It may also act as a precursor for energetic materials due to its nitro-pyrazole scaffold.

Safety and Hazards

GHS Hazard Statements

• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (50%): 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (100%)
• Skin Irrit. 2 (50%)
• Eye Irrit. 2A (50%)
• STOT SE 3 (50%)

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