Description

2-Bromo-1-(chloromethyl)-4-(trifluoromethyl)benzene (CAS No. 480438-96-8) is a high-purity halogenated aromatic compound with the molecular formula C₈H₅BrClF₃. This specialized chemical is widely utilized in organic synthesis, pharmaceutical research, and material science due to its reactive benzyl chloride and bromo substituents, as well as its electron-withdrawing trifluoromethyl group. The compound is supplied as a clear to pale-yellow liquid or low-melting solid, with stringent quality control to ensure >98% purity (GC). It is packaged under inert gas to prevent degradation and is ideal for nucleophilic substitution reactions, cross-coupling reactions (e.g., Suzuki-Miyaura), and as a building block for agrochemicals or bioactive molecules. Store in a cool, dry place away from light and moisture.

Properties

• CAS Number: 480438-96-8
• Complexity: 171
• IUPAC Name: 2-bromo-1-(chloromethyl)-4-(trifluoromethyl)benzene
• InChI: InChI=1S/C8H5BrClF3/c9-7-3-6(8(11,12)13)2-1-5(7)4-10/h1-3H,4H2
• InChI Key: FFTAVZITFBFVEC-UHFFFAOYSA-N
• Exact Mass: 271.92152
• Molecular Formula: C8H5BrClF3
• Molecular Weight: 273.48
• SMILES: C1=CC(=C(C=C1C(F)(F)F)Br)CCl
• Monoisotopic Mass: 271.92152
• Synonyms: 480438-96-8, 2-bromo-1-(chloromethyl)-4-(trifluoromethyl)benzene, 2-Bromo-4-(trifluoromethyl)benzyl chloride, 2-bromo-4-trifluoromethylbenzyl chloride, MFCD03094249, SCHEMBL3690695, DTXSID00380879, FFTAVZITFBFVEC-UHFFFAOYSA-N, CK2001, AKOS015995403, AS-45841, DB-070906, EN300-1938545

Application

2-Bromo-1-(chloromethyl)-4-(trifluoromethyl)benzene serves as a versatile intermediate in the synthesis of trifluoromethyl-substituted aromatic compounds. It is commonly employed in pharmaceutical research for the development of enzyme inhibitors and receptor modulators due to its ability to enhance metabolic stability. In material science, it acts as a precursor for liquid crystals and specialty polymers. The compound’s reactivity also makes it valuable for constructing complex molecules via palladium-catalyzed cross-coupling reactions.

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