Description

1-Fluoro-2-methoxy-4-nitrobenzene (CAS No. 454-16-0) is a high-purity aromatic compound with the molecular formula C₇H₆FNO₃. This fluorinated nitrobenzene derivative is characterized by its unique substitution pattern, featuring a fluorine atom at the 1-position, a methoxy group at the 2-position, and a nitro group at the 4-position. It is widely utilized as a versatile building block in organic synthesis, particularly in the development of pharmaceuticals, agrochemicals, and specialty materials. Our product is rigorously tested to ensure superior quality, with ≥98% purity (GC), and is supplied in sealed, light-resistant packaging to maintain stability. Ideal for researchers seeking reliable intermediates for nucleophilic aromatic substitution (S_NAr) reactions or electrophilic functionalization studies.

Properties

• CAS Number: 454-16-0
• Complexity: 171
• IUPAC Name: 1-fluoro-2-methoxy-4-nitro-benzene
• InChI: InChI=1S/C7H6FNO3/c1-12-7-4-5(9(10)11)2-3-6(7)8/h2-4H,1H3
• InChI Key: AZNKKZHZGDZSIF-UHFFFAOYSA-N
• Exact Mass: 171.03317122
• Molecular Formula: C7H6FNO3
• Molecular Weight: 171.13
• SMILES: COC1=C(C=CC(=C1)[N+](=O)[O-])F
• Topological: 55.1
• Monoisotopic Mass: 171.03317122
• Synonyms: 454-16-0, 1-fluoro-2-methoxy-4-nitrobenzene, DTXSID70560464, DTXCID00511242, 688-393-0, 2-fluoro-5-nitroanisole, 4-Fluoro-3-methoxynitrobenzene, MFCD07782081, 1-fluoro-2-methoxy-4-nitro-benzene, Benzene, 1-fluoro-2-methoxy-4-nitro-, 2-fluoro-5-nitro anisole, SCHEMBL122944, 3-methoxy-4-fluoronitrobenzene, 2-Methoxy-4-nitrofluorobenzene;, AZNKKZHZGDZSIF-UHFFFAOYSA-N, BCP05879, CS-D1128, BBL101940, SBB063012, STL555737, AKOS005063669, AC-9720, FF33946, 1-Fluoro-2-(methyloxy)-4-nitrobenzene, AC-28618, AS-18664, SY014355, DB-006810, EN300-233504

Application

1-Fluoro-2-methoxy-4-nitrobenzene serves as a key intermediate in the synthesis of active pharmaceutical ingredients (APIs) and fine chemicals. Its electron-deficient aromatic ring makes it suitable for nucleophilic displacement reactions, enabling the introduction of heteroatoms or functional groups. Researchers also employ it in the development of dyes, liquid crystals, and advanced polymer precursors. The compound’s nitro group can be selectively reduced to an amine for further derivatization.

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 (100%): 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 (100%)

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