Description

(Chlorodifluoromethoxy)benzene (CAS No. 770-11-6) is a specialized fluorinated aromatic compound with the molecular formula C₇H₅ClF₂O. This high-purity reagent features a benzene ring substituted with a chlorodifluoromethoxy group (–O–CF₂Cl), offering unique reactivity for electrophilic and nucleophilic transformations. Its IUPAC name, [chloro(difluoro)methoxy]benzene, reflects its precise structure. Ideal for pharmaceutical intermediates, agrochemical synthesis, and materials science, this compound is supplied as a clear liquid with stringent QC validation (≥95% purity by GC). Compatible with Grignard reactions, cross-coupling, and fluorination processes. Store under inert gas at 2-8°C to prevent hydrolysis. Available in research (5g, 25g) and bulk quantities with MSDS upon request.

Properties

• CAS Number: 770-11-6
• Complexity: 124
• IUPAC Name: [chloro(difluoro)methoxy]benzene
• InChI: InChI=1S/C7H5ClF2O/c8-7(9,10)11-6-4-2-1-3-5-6/h1-5H
• InChI Key: UCFJMYVFTUOACF-UHFFFAOYSA-N
• Exact Mass: 177.9996988
• Molecular Formula: C7H5ClF2O
• Molecular Weight: 178.56
• SMILES: C1=CC=C(C=C1)OC(F)(F)Cl
• Topological: 9.2
• Monoisotopic Mass: 177.9996988
• Synonyms: (chlorodifluoromethoxy)benzene, 770-11-6, DTXSID30469227, DTXCID40420046, [chloro(difluoro)methoxy]benzene, SCHEMBL4532633, SCHEMBL7159968, SCHEMBL7460444, SCHEMBL7463615, UCFJMYVFTUOACF-UHFFFAOYSA-N, MFCD03412214, AKOS017344042, BS-24344, DB-353529, CS-0208168, EN300-89197, H38424

Application

(Chlorodifluoromethoxy)benzene serves as a versatile building block in organic synthesis, particularly for introducing the –OCF₂Cl moiety into target molecules. It is employed in the preparation of fluorinated pharmaceuticals, including protease inhibitors and CNS-active compounds. Researchers utilize its reactivity in Pd-catalyzed cross-couplings to construct aryl ether scaffolds. The compound also finds use in agrochemical development for modifying pesticide lipophilicity. Its stability under acidic conditions makes it suitable for late-stage functionalization.

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