Description

1-Fluoro-3-nitrobenzene (CAS No. 402-67-5) is a high-purity aromatic compound with the molecular formula C₆H₄FNO₂, widely utilized in organic synthesis and pharmaceutical research. This yellow crystalline solid, also known as m-Fluoronitrobenzene, exhibits excellent reactivity as an intermediate for nucleophilic substitution reactions due to the electron-withdrawing effects of the nitro and fluorine groups. With a melting point of 40-42°C and boiling point of 205-207°C, it is soluble in organic solvents like ethanol and ether but insoluble in water. Ideal for Suzuki couplings, amination, and other cross-coupling reactions, this compound is rigorously tested via GC/HPLC to ensure ≥98% purity, meeting the stringent demands of academic and industrial laboratories. Packed in amber glass bottles under inert conditions to prevent degradation.

Properties

• CAS Number: 402-67-5
• Complexity: 134
• IUPAC Name: 1-fluoro-3-nitro-benzene
• InChI: InChI=1S/C6H4FNO2/c7-5-2-1-3-6(4-5)8(9)10/h1-4H
• InChI Key: WMASLRCNNKMRFP-UHFFFAOYSA-N
• Exact Mass: 141.02260653
• Molecular Formula: C6H4FNO2
• Molecular Weight: 141.10
• SMILES: C1=CC(=CC(=C1)F)[N+](=O)[O-]
• Topological: 45.8
• Monoisotopic Mass: 141.02260653
• Synonyms: 1-FLUORO-3-NITROBENZENE, 402-67-5, 3-Fluoronitrobenzene, m-Fluoronitrobenzene, Benzene, 1-fluoro-3-nitro-, m-Nitrofluorobenzene, CCK4NSJ7M3, 3-nitrofluorobenzene, EINECS 206-953-0, NSC 60651, NSC-60651, 1-NITRO-3-FLUOROBENZENE, DTXSID20193201, DTXCID90115692, Benzene, 1-fluoro-3-nitro-(8CI), Benzene, 1-fluoro-3-nitro-(8CI)(9CI), 206-953-0, inchi=1/c6h4fno2/c7-5-2-1-3-6(4-5)8(9)10/h1-4, 1-Fluoro-3-nitro-benzene, 3-fluoro-1-nitrobenzene, MFCD00007196, 1-fluoro-3-nitro benzene, NSC60651, 3-fluoro-nitrobenzene, 3-nitro-fluorobenzene, 3-fluoro nitro benzene, 2-fluoro-4-nitrobenzene, Nitrobenzene, 3-fluoro-, UNII-CCK4NSJ7M3, SCHEMBL146835, SCHEMBL248013, SCHEMBL590426, META FLUORO NITROBENZENE, CHEMBL164634, SCHEMBL2350187, SCHEMBL6647785, 1-Fluoro-3-nitrobenzene, 97%, BCP16131, SBB064196, AKOS000120876, AKOS040744780, AC-2900, CS-W018306, AS-33375, DB-024003, F0110, NS00042783, ST51037919, EN300-20820, A25214, 1-Fluoro-3-nitrobenzene, purum, >=97.0% (GC), Q63395619, 3-FluoronitrobenzenE;3-Fluoro-1-nitrobenzene;M-Nitrofluorobenzene

Application

1-Fluoro-3-nitrobenzene serves as a versatile building block in pharmaceutical synthesis, particularly for creating fluorinated aniline derivatives. It is employed in agrochemical research to develop novel herbicides and pesticides via nitro-group reduction or halogen displacement. The compound also finds use in materials science for synthesizing liquid crystals and dyes, leveraging its electron-deficient aromatic ring for controlled functionalization.

Safety and Hazards

GHS Hazard Statements

• H301 (97.8%): Toxic if swallowed [Danger Acute toxicity, oral]
• H311 (97.8%): Toxic in contact with skin [Danger Acute toxicity, dermal]
• H315 (10.9%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (10.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H330 (13%): Fatal if inhaled [Danger Acute toxicity, inhalation]
• H331 (87%): Toxic if inhaled [Danger Acute toxicity, inhalation]
• H373 (97.8%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]

Precautionary Statements

• P260, P261, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P320, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 3 (97.8%)
• Acute Tox. 3 (97.8%)
• Skin Irrit. 2 (10.9%)
• Eye Irrit. 2 (10.9%)
• Acute Tox. 2 (13%)
• Acute Tox. 3 (87%)
• STOT RE 2 (97.8%)

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