Description

4-Fluoro-2-nitroanisole (CAS No. 445-83-0) is a high-purity nitroaromatic compound with the molecular formula C₇H₆FNO₃ and IUPAC name 4-fluoro-1-methoxy-2-nitrobenzene. This fine chemical is characterized by its pale yellow to amber crystalline appearance and is widely utilized in organic synthesis, pharmaceutical research, and agrochemical development. With a molecular weight of 171.13 g/mol, it exhibits excellent solubility in common organic solvents such as ethanol, acetone, and dichloromethane. Our product is rigorously tested to ensure ≥98% purity (HPLC) and is supplied in sealed, light-resistant containers to maintain stability. Ideal for use as a versatile intermediate in nucleophilic substitution reactions, electrophilic aromatic substitutions, and as a precursor for fluorinated heterocycles. Suitable for researchers requiring precise fluorinated building blocks for drug discovery and material science applications.

Properties

• CAS Number: 445-83-0
• Complexity: 171
• IUPAC Name: 4-fluoro-1-methoxy-2-nitro-benzene
• InChI: InChI=1S/C7H6FNO3/c1-12-7-3-2-5(8)4-6(7)9(10)11/h2-4H,1H3
• InChI Key: FWLPYISRFBKEKV-UHFFFAOYSA-N
• Exact Mass: 171.03317122
• Molecular Formula: C7H6FNO3
• Molecular Weight: 171.13
• SMILES: COC1=C(C=C(C=C1)F)[N+](=O)[O-]
• Topological: 55.1
• Monoisotopic Mass: 171.03317122
• Synonyms: 4-Fluoro-2-nitroanisole, 445-83-0, DTXSID70340561, DTXCID90291642, 625-581-3, fwlpyisrfbkekv-uhfffaoysa-n, 4-Fluoro-1-methoxy-2-nitrobenzene, MFCD00013375, 4-fluoro-2-nitro-anisole, Benzene, 4-fluoro-1-methoxy-2-nitro-, 4-fluoro-1-methoxy-2-nitro-benzene, SCHEMBL232059, SCHEMBL6651307, SCHEMBL19075116, 4-Fluoro-2-nitroanisole, 98%, 1-fluoro-3-nitro-4-methoxybenzene, SBB063401, 4-Fluoro-1-methoxy-2-nitrobenzene #, AKOS015853573, AC-3808, CS-W017658, DS-14286, DB-024079, F0615, EN300-111702

Application

4-Fluoro-2-nitroanisole serves as a key intermediate in the synthesis of fluorinated pharmaceuticals, particularly in the development of active pharmaceutical ingredients (APIs) with enhanced bioavailability. It is employed in the preparation of agrochemicals such as herbicides and pesticides due to its nitroaromatic reactivity. Researchers also utilize this compound in material science for designing fluorinated liquid crystals and specialty polymers. Its electron-withdrawing nitro and fluoro groups make it valuable for studying structure-activity relationships in medicinal chemistry.

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 (97.5%): 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 (97.5%)

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