Description

1-Bromo-2,4,6-trifluorobenzene (CAS No. 2367-76-2) is a high-purity halogenated aromatic compound with the molecular formula C₆H₂BrF₃ and IUPAC name 2-bromo-1,3,5-trifluorobenzene. This specialized chemical is characterized by its bromine and fluorine substituents on the benzene ring, offering unique reactivity for electrophilic substitution and cross-coupling reactions. It is supplied as a clear, colorless to pale yellow liquid with a molecular weight of 210.98 g/mol, boiling point of ~150-152°C, and density of ~1.8 g/cm³. Ideal for pharmaceutical intermediates, agrochemical synthesis, and materials science research, this compound is packaged under inert gas to ensure stability and shipped with detailed technical data including ¹H/¹⁹F NMR and GC-MS purity reports (>98%). Handle with appropriate PPE in a fume hood due to potential lachrymatory effects.

Properties

• CAS Number: 2367-76-2
• Complexity: 108
• IUPAC Name: 2-bromo-1,3,5-trifluoro-benzene
• InChI: InChI=1S/C6H2BrF3/c7-6-4(9)1-3(8)2-5(6)10/h1-2H
• InChI Key: PZBSPSOGEVCRQI-UHFFFAOYSA-N
• Exact Mass: 209.92920
• Molecular Formula: C6H2BrF3
• Molecular Weight: 210.98
• SMILES: C1=C(C=C(C(=C1F)Br)F)F
• Monoisotopic Mass: 209.92920
• Synonyms: 1-Bromo-2,4,6-trifluorobenzene, 2367-76-2, 2-Bromo-1,3,5-trifluorobenzene, 2,4,6-Trifluorobromobenzene, Benzene, 2-bromo-1,3,5-trifluoro-, EINECS 219-125-9, SG6QA77T6R, DTXSID80178337, DTXCID10100828, 219-125-9, 2-bromo-1,3,5-trifluoro-benzene, MFCD00000334, 2,4,6-Trilfuorobromobenzene, 2,4,6-Trifluorovbromobenzene, UNII-SG6QA77T6R, SCHEMBL919665, 2,4,6-tri-fluorobromobenzene, 2,4,6-trifluoro-bromobenzene, 1-bromo-2,4,6-triflurobenzene, 2-Bromo-1,3,5-trifluorobenzene #, CK2387, SBB094426, AKOS000202635, AC-9679, CS-W015083, 1-Bromo-2,4,6-trifluorobenzene, 99%, PS-10232, SY033276, DB-046218, B1168, NS00049388, ST50408595, EN300-26455, InChI=1/C6H2BrF3/c7-6-4(9)1-3(8)2-5(6)10/h1-2

Application

1-Bromo-2,4,6-trifluorobenzene serves as a versatile building block in Suzuki-Miyaura and Grignard reactions for synthesizing trifluorinated biaryl structures. Its electron-deficient aromatic ring facilitates nucleophilic aromatic substitution (S_NAr) in pharmaceutical candidates targeting CNS disorders. The compound is also employed in liquid crystal and OLED material development due to its fluorine-induced dipole moments. Researchers utilize it as a precursor for PET radiotracer synthesis via bromine-76 isotope exchange.

Safety and Hazards

GHS Hazard Statements

• H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (97.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501

Hazard Classes and Categories

• Flam. Liq. 3 (100%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• STOT SE 3 (97.9%)

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