Description

2-Fluoro-1-methyl-3-nitrobenzene (CAS No. 437-86-5) is a high-purity nitroaromatic compound with the molecular formula C₇H₆FNO₂. This fluorinated derivative of nitrotoluene is widely used in organic synthesis, pharmaceutical research, and agrochemical development due to its versatile reactivity. The compound features a fluorine substituent at the 2-position and a nitro group at the 3-position of the benzene ring, making it a valuable intermediate for electrophilic substitution reactions, cross-coupling chemistry, and the synthesis of bioactive molecules. Available in >98% purity (GC), this product is rigorously tested for quality and consistency, ensuring optimal performance in demanding laboratory and industrial applications. Packaged under inert gas to maintain stability, it is ideal for researchers seeking reliable building blocks for complex molecular architectures.

Properties

• CAS Number: 437-86-5
• Complexity: 157
• IUPAC Name: 2-fluoro-1-methyl-3-nitro-benzene
• InChI: InChI=1S/C7H6FNO2/c1-5-3-2-4-6(7(5)8)9(10)11/h2-4H,1H3
• InChI Key: NBCNUIXYBLFJMI-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: 437-86-5, 2-fluoro-1-methyl-3-nitrobenzene, DTXSID60541661, DTXCID60492447, 639-386-6, 2-Fluoro-3-nitrotoluene, MFCD03412242, 2-Fluoro-3-methylnitrobenzene, Benzene, 2-fluoro-1-methyl-3-nitro-, 2-Fluor-3-nitrotoluol, 3-Nitro-2-fluorotoluene, SCHEMBL5734, 2-fluoro-3-methyl-nitrobenzene, SCHEMBL4144705, SCHEMBL28006835, 1-Methyl-2-fluoro-3-nitro-benzene, AC-444, SBB063270, AKOS005145653, AB14386, CS-W003056, FF70504, SB37186, AS-12612, SY005416, DB-006117, A1694, F0661, EN300-114907

2-Fluoro-1-methyl-3-nitrobenzene serves as a key intermediate in the synthesis of fluorinated pharmaceuticals, including kinase inhibitors and CNS-active compounds. Its electron-withdrawing nitro and fluorine groups enable selective functionalization in palladium-catalyzed cross-coupling reactions. The compound is also employed in agrochemical research for developing novel herbicides and pesticides. Additionally, it finds use in material science for creating specialty polymers and liquid crystals.

Safety and Hazards

GHS Hazard Statements

• H302 (83.3%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (16.7%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (16.7%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (25%): 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 (83.3%)
• Acute Tox. 4 (16.7%)
• Skin Irrit. 2 (50%)
• Eye Irrit. 2A (50%)
• Acute Tox. 4 (16.7%)
• STOT SE 3 (25%)

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