Description

2-Fluoro-4-methyl-1-nitrobenzene (CAS 128446-34-4) is a high-purity aromatic compound with the molecular formula C₇H₆FNO₂. This fluorinated nitroaromatic derivative is an essential intermediate in organic synthesis, pharmaceutical research, and agrochemical development. Its unique structure, featuring a fluorine substituent ortho to a nitro group and a methyl group para to the nitro, enables selective reactivity in nucleophilic substitution and reduction reactions. Provided as a crystalline solid with ≥98% purity (GC), it is ideal for Suzuki couplings, amination reactions, and heterocycle synthesis. Packaged under inert gas in amber glass vials to ensure stability. NMR, HPLC, and MS data available upon request.

Properties

• CAS Number: 128446-34-4
• Complexity: 157
• IUPAC Name: 2-fluoro-4-methyl-1-nitro-benzene
• InChI: InChI=1S/C7H6FNO2/c1-5-2-3-7(9(10)11)6(8)4-5/h2-4H,1H3
• InChI Key: WZMOWQCNPFDWPA-UHFFFAOYSA-N
• Exact Mass: 155.03825660
• Molecular Formula: C7H6FNO2
• Molecular Weight: 155.13
• SMILES: CC1=CC(=C(C=C1)[N+](=O)[O-])F
• Topological: 45.8
• Monoisotopic Mass: 155.03825660
• Synonyms: 3-Fluoro-4-nitrotoluene, 446-34-4, 2-Fluoro-4-methyl-1-nitrobenzene, Benzene, 2-fluoro-4-methyl-1-nitro-, gamma-Cyclodextrin, 2-hydroxypropyl ethers, EINECS 207-166-5, NSC 25756, AI3-52229, DTXSID6060002, DTXCID4040343, 207-166-5, 128446-34-4, 2-Fluoro-4-methylnitrobenzene, MFCD00007053, 5-Methyl-2-nitrofluorobenzene, 2-fluoro-4-methyl-1-nitro-benzene, NSC25756, 3-fluoro4-nitrotoluene, 4-nitro-3-fluorotoluene, 3-fluoro-4-nitro toluene, 3-fluoro-4-nitro-toluene, SCHEMBL247992, SCHEMBL7974830, SCHEMBL13836301, 3-Fluoro-4-nitrotoluene, 99%, (2-Hydroxypropyl)-g-cyclodextrin, BCP24551, BCP34302, CS-D1384, NSC-25756, SBB063399, 2-Fluoro-4-methyl-1-nitrobenzene #, AKOS005065476, FF52330, SB67072, AC-13799, AS-13444, SY004690, DB-024040, DS-018053, F0567, NS00043940, ST51039895, EN300-93078, F8889-9378, 2-Fluoro-4-methyl-1-nitrobenzene;(2-Hydroxypropyl)-gamma-cyclodextrin

Application

2-Fluoro-4-methyl-1-nitrobenzene serves as a key precursor in the synthesis of fluorinated anilines and benzimidazoles for pharmaceutical applications. Its electron-withdrawing nitro group facilitates palladium-catalyzed cross-coupling reactions to construct biaryl scaffolds. Researchers utilize this compound to develop PET radiotracers due to the fluorine-19 isotope’s utility in imaging. In material science, it acts as a monomer for fluorinated polyimides with enhanced thermal stability.

Safety and Hazards

GHS Hazard Statements

• H302 (98%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (96%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (98%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (98%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (98%)
• Acute Tox. 4 (96%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• Acute Tox. 4 (98%)
• STOT SE 3 (98%)

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