Description

4-Bromo-3-fluorophenol (CAS No. 121219-03-2) is a high-purity halogenated phenol derivative with the molecular formula C₆H₄BrFO. This compound is a valuable intermediate in organic synthesis, particularly in pharmaceutical and agrochemical research. Its unique bromo-fluoro substitution pattern enables selective functionalization for the development of complex molecules. Available in >98% purity (HPLC), it is supplied as a crystalline solid with strict quality control to ensure batch-to-batch consistency. Ideal for Suzuki couplings, nucleophilic substitutions, and as a building block for liquid crystal materials. Packaged under inert gas in amber glass vials to ensure stability.

Key Attributes:
– Molecular Weight: 191.00 g/mol
– Melting Point: 45-48°C
– Storage: 2-8°C under inert atmosphere
– Hazard Codes: Corrosive (C), Harmful (Xn)

Properties

• CAS Number: 121219-03-2
• Complexity: 99.1
• IUPAC Name: 4-bromo-3-fluoro-phenol
• InChI: InChI=1S/C6H4BrFO/c7-5-2-1-4(9)3-6(5)8/h1-3,9H
• InChI Key: MRQYTJXVULSNIS-UHFFFAOYSA-N
• Exact Mass: 189.94296
• Molecular Formula: C6H4BrFO
• Molecular Weight: 191.00
• SMILES: C1=CC(=C(C=C1O)F)Br
• Topological: 20.2
• Monoisotopic Mass: 189.94296
• Synonyms: 4-Bromo-3-fluorophenol, 121219-03-2, DTXSID10381296, DTXCID30332321, 673-636-5, 3-Fluoro-4-bromophenol, MFCD00051907, 4-bromo-3-fluoro-phenol, Phenol, 4-bromo-3-fluoro-, 4-bromo-3-flourophenol, 3-fluoro-4-bromo phenol, 3-fluoro-4-bromo-phenol, 4-bromo-3-fluoro phenol, 4-bromo-5-fluoro-phenol, SCHEMBL177370, SCHEMBL1608012, 1-bromo-2-fluoro-4-hydroxybenzene, BCP05735, 4-Bromo-3-fluorophenol, AldrichCPR, SBB091225, AKOS005063848, AC-3762, CS-W008805, FB11122, PS-8364, SY022614, DB-023708, B3688, ST51041969, EN300-75451, Z1154597041

Application

4-Bromo-3-fluorophenol serves as a versatile synthon in medicinal chemistry for constructing kinase inhibitors and PET radiotracer precursors. The fluorine moiety enhances bioavailability in drug candidates, while the bromine allows for palladium-catalyzed cross-coupling reactions. It is also employed in material science as a monomer for flame-retardant polymers and in ligand design for transition metal catalysts.

Safety and Hazards

GHS Hazard Statements

• H302 (89.4%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (17%): Causes skin irritation [Warning Skin corrosion/irritation]
• H318 (83%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
• H319 (17%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (14.9%): 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, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (89.4%)
• Skin Irrit. 2 (17%)
• Eye Dam. 1 (83%)
• Eye Irrit. 2 (17%)
• STOT SE 3 (14.9%)

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