Description

1-Chloro-4-(chlorodifluoromethyl)benzene (CAS No. 6987-14-0) is a high-purity aromatic compound with the molecular formula C₇H₄Cl₂F₂, widely utilized in advanced organic synthesis and pharmaceutical research. This compound, also known by its IUPAC name 1-chloro-4-[chloro(difluoro)methyl]benzene, features a benzene ring substituted with a chloro group and a chlorodifluoromethyl group, offering unique reactivity for electrophilic and nucleophilic transformations. Its well-defined structure (molecular weight: 197.01 g/mol) and stability make it ideal for constructing complex fluorinated intermediates, agrochemicals, and specialty materials. Packaged under inert conditions to ensure longevity, this product is rigorously tested via GC/MS, NMR, and HPLC to guarantee ≥98% purity. Suitable for use in controlled environments, it is available in quantities ranging from grams to kilograms to meet both laboratory and industrial-scale demands.

Properties

• CAS Number: 6987-14-0
• Complexity: 130
• IUPAC Name: 1-chloro-4-[chloro(difluoro)methyl]benzene
• InChI: InChI=1S/C7H4Cl2F2/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4H
• InChI Key: VIYPSRJNDFJXKF-UHFFFAOYSA-N
• Exact Mass: 195.9658118
• Molecular Formula: C7H4Cl2F2
• Molecular Weight: 197.01
• SMILES: C1=CC(=CC=C1C(F)(F)Cl)Cl
• Monoisotopic Mass: 195.9658118
• Synonyms: a,a-Difluoro-a-chloro-4-chlorotoluol, 1-Chloro-4-(chlorodifluoromethyl)benzene, 6987-14-0, SCHEMBL11293097, VIYPSRJNDFJXKF-UHFFFAOYSA-N, EN300-22937416

Application

1-Chloro-4-(chlorodifluoromethyl)benzene serves as a versatile building block in the synthesis of fluorinated pharmaceuticals and agrochemicals due to its reactive chlorodifluoromethyl moiety. It is employed in cross-coupling reactions to introduce difluoromethylated aromatic scaffolds, which are critical in drug discovery for modulating bioavailability and metabolic stability. Researchers also utilize this compound in the development of liquid crystals and specialty polymers, leveraging its unique electronic properties. Its role in generating fluorinated analogs of bioactive molecules makes it invaluable for medicinal chemistry and material science applications.

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