Description

3H-Pyrazol-3-imine, 2,4-dihydro-5-methyl-2-phenyl- (CAS No. 6401-97-4) is a high-purity heterocyclic organic compound with the molecular formula C₁₀H₁₁N₃. This compound, also known by its IUPAC name 5-methyl-2-phenyl-4H-pyrazol-3-imine, is a valuable intermediate in pharmaceutical and agrochemical research. Its unique pyrazole-imine structure makes it a versatile building block for synthesizing biologically active molecules, including potential drug candidates and ligands for metal coordination chemistry. Our product is rigorously tested to ensure ≥95% purity (HPLC) and is supplied as a stable, fine powder under inert packaging to prevent degradation. Available in quantities from milligrams to kilograms, this compound is ideal for medicinal chemistry, material science, and catalysis research applications.

Properties

• CAS Number: 6401-97-4
• Complexity: 239
• IUPAC Name: 5-methyl-2-phenyl-4H-pyrazol-3-imine
• InChI: InChI=1S/C10H11N3/c1-8-7-10(11)13(12-8)9-5-3-2-4-6-9/h2-6,11H,7H2,1H3
• InChI Key: VOQQGERWJRIHIK-UHFFFAOYSA-N
• Exact Mass: 173.095297364
• Molecular Formula: C10H11N3
• Molecular Weight: 173.21
• SMILES: CC1=NN(C(=N)C1)C2=CC=CC=C2
• Topological: 39.5
• Monoisotopic Mass: 173.095297364
• Synonyms: EINECS 229-014-7, 3H-Pyrazol-3-imine, 2,4-dihydro-5-methyl-2-phenyl-, 2,4-Dihydro-5-methyl-2-phenyl-3H-pyrazol-3-imine, DTXSID8064309, EC 229-014-7, DTXCID8044175, 229-014-7, 6401-97-4, SCHEMBL9466149, SCHEMBL9512565, VOQQGERWJRIHIK-UHFFFAOYSA-N, NS00008639

Application

This pyrazole-imine derivative serves as a key precursor in the synthesis of pharmaceutical compounds, particularly for developing kinase inhibitors and anti-inflammatory agents. Researchers utilize it as a ligand scaffold in transition metal catalysis for asymmetric synthesis. In material science, it finds application in constructing nitrogen-rich heterocyclic frameworks for energetic materials. The compound’s imine functionality allows for facile derivatization in medicinal chemistry optimization studies.

Safety and Hazards

GHS Hazard Statements

• H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]
• H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
• H412 (50%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

Precautionary Statements

• P264, P264+P265, P270, P273, P280, P301+P317, P302+P352, P305+P354+P338, P317, P321, P330, P332+P317, P362+P364, and P501

Hazard Classes and Categories

• Acute Tox. 4 (50%)
• Skin Irrit. 2 (50%)
• Eye Dam. 1 (50%)
• Aquatic Chronic 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.