Description

4-Bromo-3-chloro-2-fluoroaniline (CAS No. 115843-99-7) is a high-purity halogenated aniline derivative with the molecular formula C₆H₄BrClFN. This fine chemical is meticulously synthesized for advanced research applications, offering exceptional reactivity as a versatile building block in organic synthesis, pharmaceutical intermediates, and agrochemical development. The compound features a unique halogen substitution pattern (bromo, chloro, and fluoro groups) on the aniline ring, enabling selective functionalization in cross-coupling reactions, nucleophilic substitutions, and heterocycle formation. Supplied as a crystalline solid with ≥95% purity (HPLC), it is rigorously tested for consistency via GC-MS, NMR, and elemental analysis. Packaged under inert gas in amber glass vials to ensure stability, this product is ideal for medicinal chemistry, material science, and ligand design. Hazard codes (H-series) and safety data are provided in compliance with GHS standards.

Properties

• CAS Number: 115843-99-7
• Complexity: 124
• IUPAC Name: 4-bromo-3-chloro-2-fluoro-aniline
• InChI: InChI=1S/C6H4BrClFN/c7-3-1-2-4(10)6(9)5(3)8/h1-2H,10H2
• InChI Key: WYXZIQDHENNEPU-UHFFFAOYSA-N
• Exact Mass: 222.91997
• Molecular Formula: C6H4BrClFN
• Molecular Weight: 224.46
• SMILES: C1=CC(=C(C(=C1N)F)Cl)Br
• Topological: 26
• Monoisotopic Mass: 222.91997
• Synonyms: 4-bromo-3-chloro-2-fluoroaniline, 115843-99-7, DTXSID90382226, DTXCID70333251, 831-249-0, Benzenamine, 4-bromo-3-chloro-2-fluoro-, MFCD04039280, 4-bromo-3-chloro-2-fluorophenylamine, (4-Bromo-3-chloro-2-fluorophenyl)amine, 4-bromo-3-chloro-2-fluorobenzenamine, SCHEMBL159571, WYXZIQDHENNEPU-UHFFFAOYSA-N, 4-bromo-3-chloro-2-fluoro-aniline, SBB096695, AKOS005255700, PS-10198, SY022863, DB-060754, CS-0103942, ST51042244, EN300-134740, Z1269194938

Application

4-Bromo-3-chloro-2-fluoroaniline serves as a critical intermediate in the synthesis of active pharmaceutical ingredients (APIs), particularly in the development of kinase inhibitors and antimicrobial agents. Its halogen-rich structure facilitates Suzuki-Miyaura and Buchwald-Hartwig coupling reactions for constructing complex biaryl scaffolds. Researchers also utilize it in the preparation of liquid crystal materials and fluorescent dyes due to its electron-withdrawing properties. In agrochemical research, it acts as a precursor for herbicides and pesticides with enhanced selectivity.

Safety and Hazards

GHS Hazard Statements

• H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

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

Hazard Classes and Categories

• Acute Tox. 3 (100%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2A (100%)
• STOT SE 3 (100%)

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