Description

1-Chloro-2-nitro-4-(trifluoromethoxy)benzene (CAS No. 588-09-0) is a high-purity aromatic compound with the molecular formula C₇H₃ClF₃NO₃. This specialized chemical features a benzene ring substituted with chloro, nitro, and trifluoromethoxy functional groups, making it a valuable intermediate in organic synthesis and pharmaceutical research. Its unique structure offers reactivity for nucleophilic aromatic substitution (S_NAr) and cross-coupling reactions. Provided in >98% purity (HPLC/GC), it is ideal for precision applications. Packaged under inert gas in amber glass vials to ensure stability. SDS and analytical certificates available upon request.

Properties

• CAS Number: 588-09-0
• Complexity: 243
• IUPAC Name: 1-chloro-2-nitro-4-(trifluoromethoxy)benzene
• InChI: InChI=1S/C7H3ClF3NO3/c8-5-2-1-4(15-7(9,10)11)3-6(5)12(13)14/h1-3H
• InChI Key: WMEHRJJXMQRTOU-UHFFFAOYSA-N
• Exact Mass: 240.9753551
• Molecular Formula: C7H3ClF3NO3
• Molecular Weight: 241.55
• SMILES: C1=CC(=C(C=C1OC(F)(F)F)[N+](=O)[O-])Cl
• Topological: 55.1
• Monoisotopic Mass: 240.9753551
• Synonyms: 1-Chloro-2-nitro-4-(trifluoromethoxy)benzene, 588-09-0, 2-Chloro-5-(trifluoromethoxy)nitrobenzene, MFCD13194447, Benzene, 1-chloro-2-nitro-4-(trifluoromethoxy)-, SCHEMBL1275645, DTXSID40632667, AKOS015998885, DS-18230, SY023074, DB-355773, 1-chloro-2-nitro-4-trifluoromethoxy-benzene, CS-0084293, 4-(trifluoromethoxy)-2-nitro-1-chlorobenzene

Application

1-Chloro-2-nitro-4-(trifluoromethoxy)benzene is widely used as a key intermediate in the synthesis of agrochemicals, pharmaceuticals, and specialty materials. Its electron-withdrawing substituents enhance reactivity in palladium-catalyzed coupling reactions, facilitating the construction of complex aromatic systems. Researchers employ it in the development of fluorinated bioactive compounds due to the metabolic stability imparted by the trifluoromethoxy group. Suitable for exploratory chemistry in drug discovery and material science.

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