Description

2-Nitro-3,4,5-trifluorobenzoyl chloride (CAS No. 173589-92-9) is a highly specialized fluorinated aromatic compound with the molecular formula C₇HClF₃NO₃. This reactive benzoyl chloride derivative is characterized by its nitro and trifluoro substitution pattern, making it a valuable intermediate in organic synthesis and pharmaceutical research. The compound is supplied as a high-purity reagent, ideal for nucleophilic acyl substitution reactions, amide bond formation, and the synthesis of complex fluorinated scaffolds. Its unique electronic properties, imparted by the electron-withdrawing nitro and fluorine groups, enhance its reactivity in electrophilic aromatic substitution and cross-coupling reactions. Proper handling under inert conditions is recommended due to its moisture sensitivity.

Properties

• CAS Number: 173589-92-9
• Complexity: 285
• IUPAC Name: 3,4,5-trifluoro-2-nitro-benzoyl chloride
• InChI: InChI=1S/C7HClF3NO3/c8-7(13)2-1-3(9)4(10)5(11)6(2)12(14)15/h1H
• InChI Key: AQWSIWXYNSYACC-UHFFFAOYSA-N
• Exact Mass: 238.9597051
• Molecular Formula: C7HClF3NO3
• Molecular Weight: 239.53
• SMILES: C1=C(C(=C(C(=C1F)F)F)[N+](=O)[O-])C(=O)Cl
• Topological: 62.9
• Monoisotopic Mass: 238.9597051
• Synonyms: 2-Nitro-3,4,5-trifluorobenzoyl chloride, 173589-92-9, 3,4,5-trifluoro-2-nitrobenzoyl chloride, MFCD03094231, SBB099136, AKOS037655361, 2-Nitro-3,4,5-trifluorobenzoylchloride, PS-10699

Application

2-Nitro-3,4,5-trifluorobenzoyl chloride is widely used as a key building block in the synthesis of fluorinated pharmaceuticals and agrochemicals. Its reactivity enables the introduction of the 2-nitro-3,4,5-trifluorobenzoyl moiety into target molecules, particularly in the development of protease inhibitors and antibacterial agents. Researchers also employ it in material science for creating fluorinated polymers with enhanced thermal and chemical resistance. The compound’s electron-deficient aromatic ring makes it suitable for studying charge-transfer complexes in optoelectronic applications.

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