Description

3-(Propan-2-yloxy)aniline (CAS No. 41406-00-2) is a high-purity aromatic amine derivative with the molecular formula C₉H₁₃NO. This compound, also known as 3-Isopropoxyaniline, features an aniline core substituted with an isopropoxy group at the meta position, offering unique reactivity for advanced organic synthesis. With a molecular weight of 151.21 g/mol, it is a versatile intermediate for pharmaceuticals, agrochemicals, and specialty chemical applications. Our product is rigorously tested to ensure ≥98% purity (GC), with stringent quality control for moisture, residual solvents, and heavy metals. Supplied in amber glass bottles or sealed bulk containers under inert gas to prevent degradation, it is ideal for researchers requiring reliable and consistent performance in coupling reactions, heterocycle synthesis, and functional material development.

Properties

• CAS Number: 41406-00-2
• Complexity: 114
• IUPAC Name: 3-isopropoxyaniline
• InChI: InChI=1S/C9H13NO/c1-7(2)11-9-5-3-4-8(10)6-9/h3-7H,10H2,1-2H3
• InChI Key: QMGBIPKOKCSUCL-UHFFFAOYSA-N
• Exact Mass: 151.099714038
• Molecular Formula: C9H13NO
• Molecular Weight: 151.21
• SMILES: CC(C)OC1=CC=CC(=C1)N
• Topological: 35.3
• Monoisotopic Mass: 151.099714038
• Synonyms: 3-(propan-2-yloxy)aniline, 628-701-2, 3-Isopropoxyaniline, 41406-00-2, 3-propan-2-yloxyaniline, m-Isopropoxyaniline, 3-Isopropoxy-phenylamine, 3-(methylethoxy)phenylamine, Benzenamine, 3-(1-methylethoxy)-, isopropoxyaniline, 3-(Isopropyloxy)aniline; 3-Isopropoxyaniline; 3-Isopropoxybenzenamine; m-(Isopropyloxy)aniline; m-Aminophenyl Isopropyl Ether, 3-isopropoxy aniline, MFCD00052700, meta-isopropoxyaniline, 3-isopropoxybenzenamine, 3-Isopropoxyaniline #, 3-Isopropoxyaniline, 97%, SCHEMBL105230, SCHEMBL1806692, QMGBIPKOKCSUCL-UHFFFAOYSA-, DTXSID30341458, ALBB-004717, BBL036331, SBB010221, STK500332, AKOS000146456, CS-W010961, SB75744, AS-47937, DB-049749, I0448, ST50321575, EN300-244056, F17045, F5608-0062, Z239604760, InChI=1/C9H13NO/c1-7(2)11-9-5-3-4-8(10)6-9/h3-7H,10H2,1-2H3

Application

3-(Propan-2-yloxy)aniline serves as a key building block in the synthesis of pharmaceutical intermediates, particularly for antimalarial and antiviral agents. Its isopropoxy group enhances solubility and modulates electronic properties in dye and pigment manufacturing. The compound is also employed in agrochemical research for developing herbicidal and insecticidal active ingredients.

Safety and Hazards

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

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

Hazard Classes and Categories

• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• STOT SE 3 (97.6%)

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