Description

2-Chloro-4-nitrophenyl triflate (CAS No. 73088-08-1) is a high-purity, specialized chemical reagent with the molecular formula C₇H₃ClF₃NO₅S. This compound, also known as (2-chloro-4-nitrophenyl) trifluoromethanesulfonate, is a versatile triflate ester widely used in organic synthesis and pharmaceutical research. Its unique structure, featuring both a nitro and chloro substituent on the phenyl ring, makes it an excellent electrophile for nucleophilic aromatic substitution (S_NAr) reactions and cross-coupling transformations.

Our product is rigorously tested for purity and stability, ensuring optimal performance in demanding laboratory applications. It is supplied in amber glass vials under inert atmosphere to prevent degradation, making it ideal for researchers requiring reliable and consistent results. Suitable for use in medicinal chemistry, material science, and advanced synthetic methodologies.

Properties

• CAS Number: 73088-08-1
• Complexity: 414
• IUPAC Name: (2-chloro-4-nitro-phenyl) trifluoromethanesulfonate
• InChI: InChI=1S/C7H3ClF3NO5S/c8-5-3-4(12(13)14)1-2-6(5)17-18(15,16)7(9,10)11/h1-3H
• InChI Key: NFBMXHSVOJFYEM-UHFFFAOYSA-N
• Exact Mass: 304.9372555
• Molecular Formula: C7H3ClF3NO5S
• Molecular Weight: 305.62
• SMILES: C1=CC(=C(C=C1[N+](=O)[O-])Cl)OS(=O)(=O)C(F)(F)F
• Topological: 97.6
• Monoisotopic Mass: 304.9372555
• Synonyms: 2-Chloro-4-nitrophenyl triflate, 73088-08-1, 2-Chloro-4-nitrophenyl trifluoromethanesulphonate, H42134, (2-chloro-4-nitrophenyl) trifluoromethanesulfonate

Application

2-Chloro-4-nitrophenyl triflate serves as a key intermediate in the synthesis of complex aromatic compounds, particularly in pharmaceutical and agrochemical research. It is commonly employed in palladium-catalyzed cross-coupling reactions, such as Suzuki-Miyaura and Buchwald-Hartwig couplings, due to its excellent leaving group properties. Researchers also utilize it in the preparation of nitroaryl derivatives for dyes, sensors, and advanced materials.

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