Description

5-Bromo-2-fluorobenzonitrile (CAS No. 179897-89-3) is a high-purity halogenated aromatic nitrile compound with the molecular formula C₇H₃BrFN. This fine chemical is an essential intermediate in organic synthesis, particularly in pharmaceutical and agrochemical research. Its unique structure, featuring both bromo and fluoro substituents on the benzonitrile scaffold, enables versatile reactivity in cross-coupling reactions, nucleophilic substitutions, and cyanation transformations. Supplied as a white to off-white crystalline solid with ≥95% purity (HPLC), it is rigorously tested for consistency and stability. Ideal for medicinal chemistry, material science, and ligand design, this compound is packaged under inert gas to ensure longevity and stored in amber glass vials to prevent photodegradation. Available in research quantities (100mg to 10g) with optional certificates of analysis (CoA) upon request.

Properties

• CAS Number: 179897-89-3
• Complexity: 162
• IUPAC Name: 5-bromo-2-fluoro-benzonitrile
• InChI: InChI=1S/C7H3BrFN/c8-6-1-2-7(9)5(3-6)4-10/h1-3H
• InChI Key: GYCNHFWRPJXTSB-UHFFFAOYSA-N
• Exact Mass: 198.94329
• Molecular Formula: C7H3BrFN
• Molecular Weight: 200.01
• SMILES: C1=CC(=C(C=C1Br)C#N)F
• Topological: 23.8
• Monoisotopic Mass: 198.94329
• Synonyms: 5-Bromo-2-fluorobenzonitrile, 179897-89-3, DTXSID10369276, DTXCID60320312, 605-873-7, Benzonitrile, 5-bromo-2-fluoro-, 2-FLUORO-5-BROMOBENZONITRILE, MFCD00143424, 3-CYANO-4-FLUOROBROMOBENZENE, 5-bromo-2-fluorobenzenecarbonitrile, 3-cyano-4-fluoro-bromobenzene, 5-bromo-2-fluoro-benzonitrile, 2-fluoro5-bromobenzonitrile, 3-cyano-4-flurobromobenzene, GHT9224HTH, SCHEMBL80153, 3-bromo-6-fluorobenzonitrile, 3-bromo-6-fluorobenzenecarbonitrile, CS-D0996, 5-Bromo-2-fluorobenzonitrile, 97%, SBB063634, AKOS005254287, AC-3080, PS-8214, BP-12095, SY003785, 5-bromanyl-2-fluoranyl-benzenecarbonitrile, DB-023783, B2425, NS00121795, ST50319387, EN300-81406, A812495, Z57900355, InChI=1/C7H3BrFN/c8-6-1-2-7(9)5(3-6)4-10/h1-3

Application

5-Bromo-2-fluorobenzonitrile serves as a key building block in Suzuki-Miyaura and Buchwald-Hartwig couplings for drug discovery, particularly in kinase inhibitor development. Its electron-withdrawing cyano group enhances reactivity in palladium-catalyzed arylations, while the bromo/fluoro motifs enable selective functionalization. Researchers utilize this compound in the synthesis of fluorinated liquid crystals and OLED materials due to its stable aromatic core. It also finds use in agrochemical intermediates for crop protection agents.

Safety and Hazards

GHS Hazard Statements

• H302 (92%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (92%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (98%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (98%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (92%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (96%): 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 (92%)
• Acute Tox. 4 (92%)
• Skin Irrit. 2 (98%)
• Eye Irrit. 2 (98%)
• Acute Tox. 4 (92%)
• STOT SE 3 (96%)

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