Description

3-Bromo-4-Fluorophenol (CAS No. 27407-11-0) is a high-purity halogenated phenol derivative with the molecular formula C₆H₄BrFO, widely utilized in pharmaceutical synthesis, agrochemical research, and advanced material science. This off-white to pale yellow crystalline solid (purity ≥98% by GC) exhibits excellent reactivity as a versatile building block for cross-coupling reactions (e.g., Suzuki-Miyaura, Buchwald-Hartwig) due to its orthogonal functional groups. With a molecular weight of 191.00 g/mol and melting point of 42-46°C, it is supplied in amber glass vials under inert gas to prevent degradation. The compound is particularly valuable for developing fluorinated bioactive molecules and liquid crystal materials, with strict QC validation via ¹H/¹⁹F NMR and HPLC-MS. Store at 2-8°C in a well-ventilated area, with handling precautions for its irritant properties (GHS05).

Properties

• CAS Number: 27407-11-0
• Complexity: 99.1
• IUPAC Name: 3-bromo-4-fluoro-phenol
• InChI: InChI=1S/C6H4BrFO/c7-5-3-4(9)1-2-6(5)8/h1-3,9H
• InChI Key: QWTULQLVGNZMLF-UHFFFAOYSA-N
• Exact Mass: 189.94296
• Molecular Formula: C6H4BrFO
• Molecular Weight: 191.00
• SMILES: C1=CC(=C(C=C1O)Br)F
• Topological: 20.2
• Monoisotopic Mass: 189.94296
• Synonyms: 3-Bromo-4-Fluorophenol, 27407-11-0, DTXSID70382623, DTXCID00333648, 807-954-4, 3-bromo-4-fluoro-phenol, MFCD03425884, Phenol, 3-bromo-4-fluoro-, 4-fluoro-3-bromophenol, SCHEMBL189322, 3-bromanyl-4-fluoranyl-phenol, SCHEMBL15352380, SCHEMBL28247080, QWTULQLVGNZMLF-UHFFFAOYSA-N, BCP26659, CL8474, SBB091217, AKOS006230023, AC-3757, CS-W008153, FB32639, PS-8370, SY002949, DB-005284, B4491, EN300-118525, A819049

3-Bromo-4-Fluorophenol serves as a critical intermediate in synthesizing fluorinated drug candidates, particularly kinase inhibitors and CNS-active compounds. Its dual functionality enables precise regioselective modifications in palladium-catalyzed arylations for material science applications. Researchers employ this compound to develop advanced liquid crystal displays (LCDs) and organic semiconductors due to its stable aromatic-fluorine bonding. The bromo-fluoro substitution pattern makes it valuable for studying structure-activity relationships in medicinal chemistry programs.

Safety and Hazards

GHS Hazard Statements

• H302+H312+H332 (33.3%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
• H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (33.3%): 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 (33.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (66.7%): 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 (33.3%)
• Acute Tox. 4 (33.3%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• Acute Tox. 4 (33.3%)
• STOT SE 3 (66.7%)

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