Description

1,3-Difluoro-2-nitrobenzene (CAS No. 19064-24-5) is a high-purity aromatic compound with the molecular formula C₆H₃F₂NO₂. This fluorinated nitrobenzene derivative is a valuable intermediate in organic synthesis, particularly in the development of pharmaceuticals, agrochemicals, and specialty materials. Its unique structure, featuring two fluorine atoms and a nitro group on a benzene ring, enables selective reactivity in nucleophilic aromatic substitution (S_NAr) reactions. Available in >98% purity (GC), this compound is supplied in sealed containers under inert gas to ensure stability. Ideal for researchers in medicinal chemistry and material science, it is compatible with anhydrous conditions and sensitive synthetic protocols. Store in a cool, dry place away from light and oxidizing agents.

Properties

• CAS Number: 19064-24-5
• Complexity: 149
• IUPAC Name: 1,3-difluoro-2-nitro-benzene
• InChI: InChI=1S/C6H3F2NO2/c7-4-2-1-3-5(8)6(4)9(10)11/h1-3H
• InChI Key: SSNCMIDZGFCTST-UHFFFAOYSA-N
• Exact Mass: 159.01318466
• Molecular Formula: C6H3F2NO2
• Molecular Weight: 159.09
• SMILES: C1=CC(=C(C(=C1)F)[N+](=O)[O-])F
• Topological: 45.8
• Monoisotopic Mass: 159.01318466
• Synonyms: 1,3-Difluoro-2-nitrobenzene, 19064-24-5, EINECS 242-793-8, DTXSID00172559, DTXCID9095050, 242-793-8, 2,6-Difluoronitrobenzene, Benzene, 1,3-difluoro-2-nitro-, 1,3-Difluoro-2-nitro-benzene, MFCD00192035, 1,3-difluoronitrobenzene, 2,6-difluoro nitrobenzene, 2,6-difluoro-nitrobenzene, 1,3-difluoro-2-nitrobenzen, SCHEMBL240574, 1, 3-difluoro-2-nitrobenzene, SCHEMBL8938816, 2,6-Difluoronitrobenzene, 98%, BBL100545, SBB063000, STL554339, AKOS005064054, AC-1425, CS-W002503, FD64615, AS-14435, SY016068, DB-031097, D4123, NS00048298, EN300-44997, Z451379074

Application

1,3-Difluoro-2-nitrobenzene serves as a versatile building block in the synthesis of fluorinated aromatic compounds, including active pharmaceutical ingredients (APIs) and liquid crystal materials. Its electron-deficient ring system facilitates the preparation of heterocycles via nucleophilic displacement reactions. The compound is also used in the development of agrochemicals and dyes, leveraging the stability of the C-F bond. Researchers employ it to study regioselectivity in aromatic substitution reactions.

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 (97.7%): 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 (97.7%)

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