Description

2-Fluoro-5-iodobenzonitrile (CAS No. 351003-36-6) is a high-purity halogenated aromatic nitrile compound with the molecular formula C₇H₃FIN. This specialty chemical is characterized by its unique molecular structure featuring both fluorine and iodine substituents on a benzonitrile scaffold, making it a versatile intermediate for advanced organic synthesis and pharmaceutical research. Its high reactivity at the iodine and nitrile functional groups enables selective cross-coupling reactions, nucleophilic substitutions, and cyclization processes. Supplied as a crystalline solid with ≥95% purity (HPLC), it is rigorously tested for consistency via GC-MS, NMR, and elemental analysis. Ideal for Suzuki-Miyaura, Buchwald-Hartwig, and other palladium-catalyzed transformations. Store under inert conditions at 2-8°C to maintain stability. Available in research (100mg-1g) and bulk (5g-100g) quantities with optional custom purity and packaging.

Properties

• CAS Number: 351003-36-6
• Complexity: 162
• IUPAC Name: 2-fluoro-5-iodo-benzonitrile
• InChI: InChI=1S/C7H3FIN/c8-7-2-1-6(9)3-5(7)4-10/h1-3H
• InChI Key: BIZHQRAAZMDWNK-UHFFFAOYSA-N
• Exact Mass: 246.92942
• Molecular Formula: C7H3FIN
• Molecular Weight: 247.01
• SMILES: C1=CC(=C(C=C1I)C#N)F
• Topological: 23.8
• Monoisotopic Mass: 246.92942
• Synonyms: 2-Fluoro-5-iodobenzonitrile, 351003-36-6, DTXSID70381196, DTXCID90332221, 609-061-3, 2-fluoro-5-iodo-benzonitrile, MFCD03094225, 2-fluoro-5-iodobenzenecarbonitrile, Benzonitrile, 2-fluoro-5-iodo-, SCHEMBL301704, BIZHQRAAZMDWNK-UHFFFAOYSA-N, 2-Fluoro-5-iodobenzonitrile, 97%, CK2142, SBB064412, AKOS005063927, AC-4073, CS-W010230, PS-7517, SY009427, DB-021096, ST51041784, EN300-70720

Application

2-Fluoro-5-iodobenzonitrile serves as a critical building block in medicinal chemistry for the synthesis of fluorinated and iodinated bioactive molecules, particularly kinase inhibitors and PET radiotracer precursors. Its electron-deficient aromatic system facilitates palladium-catalyzed cross-couplings to construct complex heterocycles in drug discovery programs. The compound is also employed in materials science for developing liquid crystals and organic semiconductors, where its halogen substituents enable precise tuning of electronic properties. Researchers utilize it to introduce both fluorine and iodine motifs in a single step during structure-activity relationship (SAR) studies.

Safety and Hazards

GHS Hazard Statements

• H302 (95.7%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (95.7%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (12.8%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (12.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (95.7%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (10.6%): 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 (95.7%)
• Acute Tox. 4 (95.7%)
• Skin Irrit. 2 (12.8%)
• Eye Irrit. 2A (12.8%)
• Acute Tox. 4 (95.7%)
• STOT SE 3 (10.6%)

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