Description

2-Bromo-5-fluoroaniline (CAS No. 1003-99-2) is a high-purity halogenated aniline derivative with the molecular formula C₆H₅BrFN. This aromatic amine features both bromine and fluorine substituents on the benzene ring, making it a versatile intermediate for pharmaceutical, agrochemical, and materials science research. Its IUPAC name, 2-bromo-5-fluoroaniline, reflects its precise structural configuration, where the bromo and fluoro groups are ortho and meta to the amino group, respectively. This compound is supplied as a crystalline solid or solution, with >98% purity verified by GC/HPLC, and is packaged under inert gas to ensure stability. Ideal for Suzuki couplings, Buchwald-Hartwig aminations, and other cross-coupling reactions, it is a critical building block for synthesizing bioactive molecules and advanced materials. Store in a cool, dry place away from light and oxidizing agents.

Properties

• CAS Number: 1003-99-2
• Complexity: 99.1
• IUPAC Name: 2-bromo-5-fluoro-aniline
• InChI: InChI=1S/C6H5BrFN/c7-5-2-1-4(8)3-6(5)9/h1-3H,9H2
• InChI Key: FWTXFEKVHSFTDQ-UHFFFAOYSA-N
• Exact Mass: 188.95894
• Molecular Formula: C6H5BrFN
• Molecular Weight: 190.01
• SMILES: C1=CC(=C(C=C1F)N)Br
• Topological: 26
• Monoisotopic Mass: 188.95894
• Synonyms: 2-Bromo-5-fluoroaniline, 1003-99-2, 2-bromo-5-fluorobenzenamine, DTXSID50378367, DTXCID50329394, 600-091-2, benzenamine, 2-bromo-5-fluoro-, 2-bromo-5-fluoro-aniline, 5-fluoro-2-bromoaniline, 2-bromo-5-fluorophenylamine, MFCD00070750, 2-Bromo-5-fluoro aniline, SCHEMBL109237, 2-Bromo-5-fluoroaniline, 97%, CL8389, SBB091030, AKOS005064046, AC-3651, CS-W001130, PS-8400, DB-021093, B2163, NS00121478, ST50408655, EN300-106061

Application

2-Bromo-5-fluoroaniline is widely used as a key intermediate in the synthesis of pharmaceuticals, particularly for constructing fluorinated and brominated heterocycles. It serves as a precursor in the development of agrochemicals, such as herbicides and fungicides, leveraging its halogenated aromatic structure. Researchers also employ it in material science to engineer organic semiconductors and liquid crystals due to its electron-withdrawing properties. Its reactivity in palladium-catalyzed cross-coupling reactions makes it valuable for creating complex molecular architectures.

Safety and Hazards

GHS Hazard Statements

• H302 (13%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (13%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (13%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (97.8%): 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 (13%)
• Acute Tox. 4 (13%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• Acute Tox. 4 (13%)
• STOT SE 3 (97.8%)

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