Description

1-Chloro-2-fluoro-4-methoxy-5-nitrobenzene (CAS No. 1089280-66-9) is a high-purity aromatic compound with the molecular formula C₇H₅ClFNO₃, designed for advanced research and industrial applications. This nitro-substituted benzene derivative features chloro, fluoro, and methoxy functional groups, making it a versatile intermediate in organic synthesis and pharmaceutical development. Its precise molecular structure (IUPAC name: 1-chloro-2-fluoro-4-methoxy-5-nitrobenzene) ensures consistent reactivity in electrophilic substitutions and cross-coupling reactions. Available in >98% purity (HPLC/GC), it is supplied in sealed packaging under inert conditions to maintain stability. Ideal for use in drug discovery, agrochemical research, and material science.

Properties

• CAS Number: 1089280-66-9
• Complexity: 199
• IUPAC Name: 1-chloro-2-fluoro-4-methoxy-5-nitro-benzene
• InChI: InChI=1S/C7H5ClFNO3/c1-13-7-3-5(9)4(8)2-6(7)10(11)12/h2-3H,1H3
• InChI Key: WGZSTQPRYUSALF-UHFFFAOYSA-N
• Exact Mass: 204.9941989
• Molecular Formula: C7H5ClFNO3
• Molecular Weight: 205.57
• SMILES: COC1=CC(=C(C=C1[N+](=O)[O-])Cl)F
• Topological: 55.1
• Monoisotopic Mass: 204.9941989
• Synonyms: 1-CHLORO-2-FLUORO-4-METHOXY-5-NITROBENZENE, 1089280-66-9, MFCD11847613, 1-Chloro-2-fluoro-4-methoxy-5-nitro-benzene, 4-chloro-5-fluoro-2-nitrophenyl methyl ether, SCHEMBL310330, WGZSTQPRYUSALF-UHFFFAOYSA-N, PTB28066, AKOS027327801, DS-11937, SY041470, DB-097903, CS-0042593, EN300-304145, 1-Chloro-2-fluoro-4-(methyloxy)-5-nitrobenzene

Application

1-Chloro-2-fluoro-4-methoxy-5-nitrobenzene serves as a key building block in the synthesis of pharmaceuticals, particularly for the modification of bioactive aromatic scaffolds. Its electron-withdrawing nitro group facilitates nucleophilic aromatic substitutions, enabling the creation of complex heterocycles. Researchers also utilize it in agrochemical development for designing herbicidal and fungicidal compounds. The compound’s halogenated structure is valuable in material science for synthesizing specialty polymers and dyes.

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