Description

1,3-Dichloro-2-(trifluoromethoxy)benzene (CAS No. 97608-49-6) is a high-purity halogenated aromatic compound with the molecular formula C₇H₃Cl₂F₃O. This specialty chemical features a benzene ring substituted with two chlorine atoms at the 1 and 3 positions and a trifluoromethoxy group at the 2 position, offering unique reactivity for advanced synthetic applications. With a molecular weight of 234.99 g/mol, it is supplied as a clear to pale-yellow liquid (or low-melting solid) with exceptional stability under inert conditions. Ideal for pharmaceutical intermediates, agrochemical research, and material science, this compound is rigorously tested by GC, NMR, and HPLC to ensure ≥98% purity. Store in a cool, dry place away from light and oxidizing agents.

Properties

• CAS Number: 97608-49-6
• Complexity: 164
• IUPAC Name: 1,3-dichloro-2-(trifluoromethoxy)benzene
• InChI: InChI=1S/C7H3Cl2F3O/c8-4-2-1-3-5(9)6(4)13-7(10,11)12/h1-3H
• InChI Key: RIVHTVHBEUJLSP-UHFFFAOYSA-N
• Exact Mass: 229.9513046
• Molecular Formula: C7H3Cl2F3O
• Molecular Weight: 231.00
• SMILES: C1=CC(=C(C(=C1)Cl)OC(F)(F)F)Cl
• Topological: 9.2
• Monoisotopic Mass: 229.9513046
• Synonyms: 1,3-Dichloro-2-(trifluoromethoxy)benzene, 97608-49-6, 2,6-DICHLORO(TRIFLUOROMETHOXY)BENZENE, Benzene, 1,3-dichloro-2-(trifluoromethoxy)-, MFCD14697984, 2,6-Dichloro-1-(trifluoromethoxy)benzene, SCHEMBL8978656, SCHEMBL9010542, SCHEMBL17529616, DTXSID30539732, AKOS015850057, SY110722, F95146

Application

1,3-Dichloro-2-(trifluoromethoxy)benzene serves as a versatile building block in organic synthesis, particularly for introducing trifluoromethoxy-substituted aromatic scaffolds. It is employed in the development of pharmaceutical candidates, agrochemicals (e.g., herbicides and insecticides), and liquid crystal materials. The compound’s electron-withdrawing groups facilitate nucleophilic aromatic substitution reactions, making it valuable for creating complex fluorinated architectures.

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