Description

1-(Bromomethyl)-2-fluoro-3-(trifluoromethyl)benzene (CAS No. 184970-25-0) is a high-purity fluorinated aromatic compound with the molecular formula C₈H₅BrF₄. This organobromine derivative features a reactive bromomethyl group adjacent to fluorine and trifluoromethyl substituents, making it a versatile building block for synthetic organic chemistry, pharmaceutical intermediates, and agrochemical research. The compound is supplied as a clear to pale-yellow liquid with stringent quality control to ensure consistency in reactivity and yield. Ideal for nucleophilic substitution reactions, cross-coupling methodologies, and as a precursor for advanced fluorinated materials. Store under inert conditions to maintain stability.

Properties

• CAS Number: 184970-25-0
• Complexity: 168
• IUPAC Name: 1-(bromomethyl)-2-fluoro-3-(trifluoromethyl)benzene
• InChI: InChI=1S/C8H5BrF4/c9-4-5-2-1-3-6(7(5)10)8(11,12)13/h1-3H,4H2
• InChI Key: QBEHXDXQUVMEQX-UHFFFAOYSA-N
• Exact Mass: 255.95108
• Molecular Formula: C8H5BrF4
• Molecular Weight: 257.02
• SMILES: C1=CC(=C(C(=C1)C(F)(F)F)F)CBr
• Monoisotopic Mass: 255.95108
• Synonyms: 184970-25-0, 1-(bromomethyl)-2-fluoro-3-(trifluoromethyl)benzene, 623-907-9, 2-Fluoro-3-(trifluoromethyl)benzyl bromide, 2-fluoro-3-(trifluoromethyl)benzylbromide, 2-Fluoro-3-(trifluoromethyl)benzyl bromide, 97%, 3-(bromomethyl)-2-fluoro-1-(trifluoromethyl)benzene, MFCD00061172, SCHEMBL841044, DTXSID20372150, SBB048491, STK504221, AKOS015854320, AC-4172, 2-fluoro-3-trifluoromethylbenzyl bromide, 2-fluoro-3-trifluoromethyl benzyl bromide, AS-33193, DB-044545, EN300-1932707

Application

1-(Bromomethyl)-2-fluoro-3-(trifluoromethyl)benzene is widely used in the synthesis of fluorinated pharmaceuticals and agrochemicals due to its reactive benzyl bromide moiety. It serves as a key intermediate in Suzuki-Miyaura and other palladium-catalyzed cross-coupling reactions. Researchers also employ it to introduce trifluoromethyl and fluorine motifs into complex molecules for drug discovery and material science applications.

Safety and Hazards

GHS Hazard Statements

• H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

Precautionary Statements

• P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501

Hazard Classes and Categories

• Skin Corr. 1B (100%)

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