Description

2-Bromo-1-chloro-4-fluorobenzene (CAS No. 201849-15-2) is a high-purity halogenated aromatic compound with the molecular formula C₆H₃BrClF. This versatile intermediate is widely used in organic synthesis, pharmaceutical research, and material science applications. The compound features a benzene ring substituted with bromine, chlorine, and fluorine atoms at the 2-, 1-, and 4-positions respectively, offering unique reactivity for cross-coupling reactions and further functionalization.

Our product is rigorously tested to ensure ≥98% purity (GC) and is supplied in sealed containers under inert atmosphere to maintain stability. Available in quantities from grams to kilograms, it’s ideal for laboratory-scale experiments and industrial applications. The compound’s distinct halogen pattern makes it particularly valuable for constructing complex molecules in medicinal chemistry and agrochemical development.

Key specifications include molecular weight of 209.44 g/mol, boiling point of approximately 195-198°C, and density of 1.76 g/cm³. Proper handling requires PPE and adequate ventilation due to potential irritant properties. SDS and analytical certificates are available upon request.

Properties

• CAS Number: 201849-15-2
• Complexity: 99.1
• IUPAC Name: 2-bromo-1-chloro-4-fluoro-benzene
• InChI: InChI=1S/C6H3BrClF/c7-5-3-4(9)1-2-6(5)8/h1-3H
• InChI Key: FOCCSIJMXBTKHD-UHFFFAOYSA-N
• Exact Mass: 207.90907
• Molecular Formula: C6H3BrClF
• Molecular Weight: 209.44
• SMILES: C1=CC(=C(C=C1F)Br)Cl
• Monoisotopic Mass: 207.90907
• Synonyms: 2-Bromo-1-chloro-4-fluorobenzene, 201849-15-2, DTXSID60378318, DTXCID60329345, 606-454-1, 1-bromo-2-chloro-5-fluorobenzene, 2-chloro-5-fluorobromobenzene, Benzene, 2-bromo-1-chloro-4-fluoro-, 2-bromo-1-chloro-4-fluoro-benzene, MFCD00061120, SCHEMBL505116, SCHEMBL6653553, SCHEMBL29001784, SBB094232, AKOS015835291, 2-BROMO-4-FLUORO-CHLOROBENZENE, AC-2305, CS-W002281, DS-12652, SY017808, DB-008167, B3048, ST50408676, EN300-99258, 2-Bromo-1-chloro-4-fluorobenzene, AldrichCPR

Application

2-Bromo-1-chloro-4-fluorobenzene serves as a key building block in Suzuki-Miyaura and other palladium-catalyzed cross-coupling reactions for pharmaceutical intermediates. The compound’s multiple halogen substituents allow selective functionalization, making it valuable for creating diverse chemical libraries in drug discovery. It’s particularly useful in synthesizing fluorinated bioactive compounds where the fluorine atom enhances metabolic stability and membrane permeability.

Safety and Hazards

GHS Hazard Statements

• H227 (12.5%): Combustible liquid [Warning Flammable liquids]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (87.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (87.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501

Hazard Classes and Categories

• Flam. Liq. 4 (12.5%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2A (87.5%)
• STOT SE 3 (87.5%)

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