Description

1-Bromo-3-(fluoromethoxy)benzene (CAS No. 496052-50-7) is a high-purity halogenated aromatic compound with the molecular formula C₇H₆BrFO. This specialized chemical features a benzene ring substituted with both a bromo group and a fluoromethoxy group at the meta position, making it a valuable intermediate in organic synthesis and pharmaceutical research. Its unique structure enables applications in cross-coupling reactions, fluorination studies, and as a building block for advanced materials. Supplied as a clear to pale yellow liquid, it is rigorously tested for quality (≥95% purity by GC) and packaged under inert conditions to ensure stability. Ideal for researchers developing novel agrochemicals, bioactive molecules, or fluorine-containing compounds. Synonyms: 1-bromo-3-(fluoromethoxy)benzene, SCHEMBL542315, DB-162373.

Properties

• CAS Number: 496052-50-7
• Complexity: 99.6
• IUPAC Name: 1-bromo-3-(fluoromethoxy)benzene
• InChI: InChI=1S/C7H6BrFO/c8-6-2-1-3-7(4-6)10-5-9/h1-4H,5H2
• InChI Key: SBSXTRYBPMEBNX-UHFFFAOYSA-N
• Exact Mass: 203.95861
• Molecular Formula: C7H6BrFO
• Molecular Weight: 205.02
• SMILES: C1=CC(=CC(=C1)Br)OCF
• Topological: 9.2
• Monoisotopic Mass: 203.95861
• Synonyms: 1-bromo-3-(fluoromethoxy)benzene, 496052-50-7, 864-604-3, SCHEMBL542315, DB-162373, EN300-7654178

Application

1-Bromo-3-(fluoromethoxy)benzene serves as a versatile reagent in Suzuki-Miyaura and other palladium-catalyzed cross-coupling reactions to introduce fluoromethoxy-substituted phenyl groups. Its dual functionality makes it valuable in medicinal chemistry for synthesizing fluorinated drug candidates targeting CNS disorders. The compound is also used in material science to create liquid crystals or polymers with tailored electronic properties.

Safety and Hazards

GHS Hazard Statements

• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (100%): 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 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• 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+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 (100%)
• Acute Tox. 4 (100%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2A (100%)
• Acute Tox. 4 (100%)
• STOT SE 3 (100%)

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