Description

1,2-Difluoro-3-methyl-4-nitrobenzene (CAS No. 914348-35-9) is a high-purity fluorinated aromatic compound with the molecular formula C₇H₅F₂NO₂. This specialty chemical features a benzene ring substituted with two fluorine atoms, a methyl group, and a nitro group, making it a valuable intermediate in organic synthesis and pharmaceutical research. Its precise structure (IUPAC name: 1,2-difluoro-3-methyl-4-nitrobenzene) ensures consistent reactivity for electrophilic substitutions and cross-coupling reactions. Available in >98% purity (GC), it is supplied in sealed amber vials under inert gas to prevent degradation. Ideal for researchers developing agrochemicals, liquid crystals, or PET radiopharmaceutical precursors due to its electron-withdrawing properties. Compatible with Suzuki-Miyaura and Buchwald-Hartwig reactions. Store at 2-8°C in a dry environment.

Properties

• CAS Number: 914348-35-9
• Complexity: 183
• IUPAC Name: 1,2-difluoro-3-methyl-4-nitro-benzene
• InChI: InChI=1S/C7H5F2NO2/c1-4-6(10(11)12)3-2-5(8)7(4)9/h2-3H,1H3
• InChI Key: ODMLBEQUDLHJMW-UHFFFAOYSA-N
• Exact Mass: 173.02883473
• Molecular Formula: C7H5F2NO2
• Molecular Weight: 173.12
• SMILES: CC1=C(C=CC(=C1F)F)[N+](=O)[O-]
• Topological: 45.8
• Monoisotopic Mass: 173.02883473
• Synonyms: 914348-35-9, 2,3-DIFLUORO-6-NITROTOLUENE, 1,2-Difluoro-3-methyl-4-nitrobenzene, 1,2-DIFLUORO-3-METHYL-4-NITRO-BENZENE, MFCD08706407, SCHEMBL2481319, DTXSID90677402, ODMLBEQUDLHJMW-UHFFFAOYSA-N, BCP23173, AKOS015888788, CS-W023220, ;(E)-methyl 3-(4-cyanophenyl)acrylate, AC-33833, DS-13016, SY060260, DB-002118

Application

1,2-Difluoro-3-methyl-4-nitrobenzene serves as a key building block in medicinal chemistry for synthesizing fluorinated drug candidates, particularly kinase inhibitors. Its nitro group facilitates reduction to amines for further derivatization, while the fluorine atoms enhance metabolic stability in bioactive molecules. The compound is also employed in materials science for creating fluorinated liquid crystals and OLED intermediates. Researchers utilize it in palladium-catalyzed cross-coupling reactions to construct complex aromatic systems.

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