Description

1-Fluoro-2-methyl-4-nitrobenzene (CAS No. 455-88-9) is a high-purity aromatic compound with the molecular formula C₇H₆FNO₂. This yellow crystalline solid is a valuable intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty materials. With a molecular weight of 155.13 g/mol, it features a nitro group and a fluorine atom on a methyl-substituted benzene ring, offering unique reactivity for electrophilic and nucleophilic substitution reactions. Our product is rigorously tested to ensure ≥98% purity (GC) and is supplied in sealed containers to maintain stability. Ideal for researchers in medicinal chemistry, material science, and fine chemical synthesis.

Properties

• CAS Number: 455-88-9
• Complexity: 157
• IUPAC Name: 1-fluoro-2-methyl-4-nitro-benzene
• InChI: InChI=1S/C7H6FNO2/c1-5-4-6(9(10)11)2-3-7(5)8/h2-4H,1H3
• InChI Key: XUCYJGMIICONES-UHFFFAOYSA-N
• Exact Mass: 155.03825660
• Molecular Formula: C7H6FNO2
• Molecular Weight: 155.13
• SMILES: CC1=C(C=CC(=C1)[N+](=O)[O-])F
• Topological: 45.8
• Monoisotopic Mass: 155.03825660
• Synonyms: 2-Fluoro-5-nitrotoluene, 455-88-9, Benzene, 1-fluoro-2-methyl-4-nitro-, EINECS 207-251-7, DTXSID9060021, DTXCID8040430, 207-251-7, 1-Fluoro-2-methyl-4-nitrobenzene, 4-fluoro-3-methylnitrobenzene, 1-fluoro-2-methyl-4-nitro-benzene, Toluene, 2-fluoro-5-nitro-, 5-nitro-2-fluorotoluene, 3-Methyl-4-fluoronitrobenzene, MFCD00007284, 2-fluoro-5-nitro-toluene, 5-nitro-2-fluoro toluene, 2-Methyl-4-nitrofluorobenzene, SCHEMBL165419, 4-fluoro-3-methyl nitrobenzene, 4-fluoro-3-methyl-nitrobenzene, SCHEMBL5840545, 2-Fluoro-5-nitrotoluene, 99%, XUCYJGMIICONES-UHFFFAOYSA-, 4-fluoro-3-methyl-1-nitrobenzene, GE8K87X255, CK1191, SBB068782, 1-Fluoro-2-methyl-4-nitrobenzene #, AKOS005063604, AC-9830, CS-W020035, FF64617, GS-3311, DB-024081, F0276, NS00042995, ST51039948, EN300-49150, 2-Fluoro-5-nitrotoluene;1-Fluoro-2-methyl-4-nitrobenzene, InChI=1/C7H6FNO2/c1-5-4-6(9(10)11)2-3-7(5)8/h2-4H,1H3

Application

1-Fluoro-2-methyl-4-nitrobenzene serves as a versatile building block in the synthesis of fluorinated pharmaceutical compounds and liquid crystal materials. Its electron-withdrawing nitro and fluorine groups facilitate cross-coupling reactions in Pd-catalyzed transformations. The compound is also used in the development of dyes, pigments, and as a precursor for fluorinated polymers with enhanced thermal stability.

Safety and Hazards

GHS Hazard Statements

• H302 (96%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (96%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (96%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (96%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (96%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (94%): 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 (96%)
• Acute Tox. 4 (96%)
• Skin Irrit. 2 (96%)
• Eye Irrit. 2 (96%)
• Acute Tox. 4 (96%)
• STOT SE 3 (94%)

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