Description

4-Bromo-3,5-difluorophenol (CAS No. 130191-91-2) is a high-purity halogenated phenol derivative with the molecular formula C₆H₃BrF₂O. This specialized organic compound features a phenolic core substituted with bromine and two fluorine atoms at the 4, 3, and 5 positions, respectively, making it a valuable intermediate for advanced synthetic applications. Its precise molecular weight (209.99 g/mol) and structural rigidity ensure consistent reactivity in electrophilic aromatic substitutions and cross-coupling reactions. Ideal for pharmaceutical, agrochemical, and materials science research, this compound is supplied in sealed packaging under inert conditions to guarantee stability and purity (>97% by HPLC). Handle with care in a controlled environment due to its potential sensitivity to light and moisture.

Properties

• CAS Number: 130191-91-2
• Complexity: 110
• IUPAC Name: 4-bromo-3,5-difluoro-phenol
• InChI: InChI=1S/C6H3BrF2O/c7-6-4(8)1-3(10)2-5(6)9/h1-2,10H
• InChI Key: HHGOLZGZHXELSW-UHFFFAOYSA-N
• Exact Mass: 207.93353
• Molecular Formula: C6H3BrF2O
• Molecular Weight: 208.99
• SMILES: C1=C(C=C(C(=C1F)Br)F)O
• Topological: 20.2
• Monoisotopic Mass: 207.93353
• Synonyms: 4-Bromo-3,5-difluorophenol, 130191-91-2, DTXSID40428269, DTXCID60379103, 642-656-6, Phenol, 4-bromo-3,5-difluoro-, MFCD08062385, 2,6-Difluoro-4-hydroxybromobenzene, 4-bromo-3,5-difluoro-phenol, SCHEMBL1575301, 4-Bromo-3,5-difluorophenol, 98%, BBL103498, SBB094132, STL557308, AKOS005254745, AC-2779, CS-W015184, AS-10343, SY002889, EN300-175257

Application

4-Bromo-3,5-difluorophenol serves as a key building block in the synthesis of fluorinated aromatic compounds, particularly in pharmaceutical candidates targeting CNS disorders. Its electron-withdrawing substituents enhance reactivity in Suzuki-Miyaura and Buchwald-Hartwig couplings for drug discovery. The compound is also utilized in agrochemical research to develop novel herbicides with improved metabolic stability. Additionally, it finds niche applications in materials science for designing liquid crystals and flame retardants.

Safety and Hazards

GHS Hazard Statements

• H302 (81.8%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (81.8%): 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 (27.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (90.9%): 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (81.8%)
• Acute Tox. 4 (81.8%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• Acute Tox. 4 (27.3%)
• STOT SE 3 (90.9%)

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