Description

3,5-Bis(chloromethyl)-2,4,6-trifluorobenzotrifluoride (CAS No. 886762-13-6) is a highly specialized fluorinated aromatic compound with the molecular formula C₉H₄Cl₂F₆. This organofluorine derivative features a benzene ring substituted with two chloromethyl groups at the 1,3-positions, three fluorine atoms at the 2,4,6-positions, and a trifluoromethyl group at the 5-position. Its IUPAC name is 1,3-bis(chloromethyl)-2,4,6-trifluoro-5-(trifluoromethyl)benzene. The compound is characterized by its high reactivity due to the presence of chloromethyl groups, making it a valuable intermediate in synthetic organic chemistry. It is particularly useful in the preparation of advanced fluorinated polymers, pharmaceuticals, and agrochemicals. The product is supplied as a high-purity solid with detailed technical specifications available upon request. Proper handling under inert conditions is recommended due to its sensitivity to moisture and potential reactivity.

Properties

• CAS Number: 886762-13-6
• Complexity: 240
• IUPAC Name: 1,3-bis(chloromethyl)-2,4,6-trifluoro-5-(trifluoromethyl)benzene
• InChI: InChI=1S/C9H4Cl2F6/c10-1-3-6(12)4(2-11)8(14)5(7(3)13)9(15,16)17/h1-2H2
• InChI Key: WBEUUUFAEGUGOA-UHFFFAOYSA-N
• Exact Mass: 295.9594245
• Molecular Formula: C9H4Cl2F6
• Molecular Weight: 297.02
• SMILES: C(C1=C(C(=C(C(=C1F)C(F)(F)F)F)CCl)F)Cl
• Monoisotopic Mass: 295.9594245
• Synonyms: 3,5-Bis(chloromethyl)-2,4,6-trifluorobenzotrifluoride, 886762-13-6, 1,3-bis(chloromethyl)-2,4,6-trifluoro-5-(trifluoromethyl)benzene, WBEUUUFAEGUGOA-UHFFFAOYSA-N, MFCD04039265, AKOS007930729

Application

3,5-Bis(chloromethyl)-2,4,6-trifluorobenzotrifluoride serves as a key building block in the synthesis of fluorinated aromatic compounds. It is widely used in pharmaceutical research for developing novel drug candidates with enhanced metabolic stability. The compound’s reactive chloromethyl groups make it valuable in polymer chemistry for creating cross-linked fluorinated materials. Additionally, it finds applications in agrochemical research for designing advanced pesticides and herbicides.

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