Description

2-Bromo-1,3-bis(trifluoromethyl)benzene (CAS No. 118527-30-3) is a high-purity aromatic compound with the molecular formula C₈H₃BrF₆. This specialized chemical features a benzene ring substituted with a bromine atom and two trifluoromethyl groups at the 1 and 3 positions, offering unique reactivity for advanced synthetic applications. With a molecular weight of 293.01 g/mol, it is a valuable intermediate in pharmaceutical, agrochemical, and materials science research. The compound is supplied as a clear, colorless to pale yellow liquid with >98% purity (GC), ensuring consistency for demanding applications. Store under inert atmosphere at 2-8°C to maintain stability. Suitable for use in cross-coupling reactions, nucleophilic substitutions, and as a building block for fluorinated liquid crystals or OLED materials.

Properties

• CAS Number: 118527-30-3
• Complexity: 198
• IUPAC Name: 2-bromo-1,3-bis(trifluoromethyl)benzene
• InChI: InChI=1S/C8H3BrF6/c9-6-4(7(10,11)12)2-1-3-5(6)8(13,14)15/h1-3H
• InChI Key: KMISZWJLTZOROU-UHFFFAOYSA-N
• Exact Mass: 291.93223
• Molecular Formula: C8H3BrF6
• Molecular Weight: 293.00
• SMILES: C1=CC(=C(C(=C1)C(F)(F)F)Br)C(F)(F)F
• Monoisotopic Mass: 291.93223
• Synonyms: 118527-30-3, 2,6-Bis(trifluoromethyl)bromobenzene, 2-bromo-1,3-bis(trifluoromethyl)benzene, 2,6-Ditrifluoromethylbromobenzene, MFCD00236210, Benzene, 2-bromo-1,3-bis(trifluoromethyl)-, SCHEMBL1041748, SCHEMBL2283793, DTXSID90371155, BBL101469, STL555265, AKOS005259102, CS-W019113, GS-3503, SY020749, 2 pound not6-Bis(trifluoromethyl)bromobenzene, EN300-7382355

Application

2-Bromo-1,3-bis(trifluoromethyl)benzene serves as a key intermediate in the synthesis of complex fluorinated compounds for pharmaceutical development. Its electron-withdrawing trifluoromethyl groups make it particularly valuable in palladium-catalyzed cross-coupling reactions to create novel bioactive molecules. The compound is also employed in materials science for developing advanced fluoropolymers with enhanced thermal and chemical resistance. Researchers utilize this brominated aromatic in the preparation of liquid crystal materials for display technologies.

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