Description

3-Fluoro-4-nitroanisole (CAS No. 446-38-8) is a high-purity nitroaromatic compound with the molecular formula C₇H₆FNO₃ and IUPAC name 2-fluoro-4-methoxy-1-nitrobenzene. This fine chemical is synthesized under stringent quality controls to ensure optimal purity and consistency, making it ideal for advanced research and industrial applications. Its unique structure, featuring a fluorine substituent and nitro group on an anisole backbone, enables versatile reactivity in organic synthesis, particularly in electrophilic aromatic substitution and nucleophilic displacement reactions. Available in crystalline form, this compound is packaged under inert conditions to maintain stability and shelf life. Suitable for use in pharmaceuticals, agrochemicals, and material science research, it is supplied with comprehensive analytical documentation including ¹H NMR, ¹³C NMR, HPLC, and GC-MS data upon request.

Properties

• CAS Number: 446-38-8
• Complexity: 171
• IUPAC Name: 2-fluoro-4-methoxy-1-nitro-benzene
• InChI: InChI=1S/C7H6FNO3/c1-12-5-2-3-7(9(10)11)6(8)4-5/h2-4H,1H3
• InChI Key: PLEJCMKVJYUUBA-UHFFFAOYSA-N
• Exact Mass: 171.03317122
• Molecular Formula: C7H6FNO3
• Molecular Weight: 171.13
• SMILES: COC1=CC(=C(C=C1)[N+](=O)[O-])F
• Topological: 55.1
• Monoisotopic Mass: 171.03317122
• Synonyms: 3-Fluoro-4-nitroanisole, 446-38-8, DTXSID10340560, DTXCID30291641, 695-695-6, 2-Fluoro-4-methoxy-1-nitrobenzene, 2-Fluoro-4-methoxynitrobenzene, 2-fluoro-4-methoxy-1-nitro-benzene, MFCD04115632, 4-Methoxy-2-fluoro-1-nitrobenzene, 3-Fluoro-4-nitrophenyl methyl ether, 3-fluoro-4-nitroanisol, 3-fluoro-4-nitro-anisol, SCHEMBL6520, 5-methoxy-2-nitrofluorobenzene, SCHEMBL17339128, SCHEMBL19058467, BCP21579, CS-D1687, Nitrobenzene,-2-fluoro,-4-methoxy, SBB063563, 3-fluoro-4-nitroanisole, AldrichCPR, 2-Fluoro-4-(methoxy)-1-nitrobenzene, 2-Fluoro-4-methoxy-1-nitrobenzene #, AKOS009492953, AC-3806, FF34197, GS-6576, DB-024043, A7242, F1291, 446-38-8a, EN300-120099

Application

3-Fluoro-4-nitroanisole serves as a key intermediate in the synthesis of fluorinated aromatic compounds, particularly in pharmaceutical and agrochemical research. Its electron-withdrawing nitro and fluorine groups make it valuable for designing bioactive molecules and studying structure-activity relationships. Researchers also utilize it in material science for developing specialty polymers and dyes. The compound’s reactivity facilitates further functionalization via reduction, halogenation, or cross-coupling reactions.

Safety and Hazards

GHS Hazard Statements

• H314 (90.5%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
• H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
• H412 (90.5%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

Precautionary Statements

• P260, P261, P264, P271, P273, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501

Hazard Classes and Categories

• Skin Corr. 1B (90.5%)
• STOT SE 3 (97.6%)
• Aquatic Chronic 3 (90.5%)

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